Mercurial > repos > tomnl > mspurity_createdatabase
annotate test-data/createMSP_output_scans_all.msp @ 0:f075f67c7416 draft
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
| author | tomnl |
|---|---|
| date | Fri, 24 May 2019 08:59:45 -0400 |
| parents | |
| children | 6ed8168e4736 |
| rev | line source |
|---|---|
|
0
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1 RECORD_TITLE: MZ:112.0507 | RT:67.5 | grpid:12 | file:1 |
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f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2 MS$FOCUSED_ION: PRECURSOR_M/Z 112.050704956055 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3 AC$CHROMATOGRAPHY: RETENTION_TIME 67.47903 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4 XCMS groupid (grpid): 12 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
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f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
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6 PK$NUM_PEAK: 1 |
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f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
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8 112.050888061523 440629.6875 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
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9 |
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f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10 RECORD_TITLE: MZ:112.0507 | RT:67.5 | grpid:12 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11 MS$FOCUSED_ION: PRECURSOR_M/Z 112.050704956055 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12 AC$CHROMATOGRAPHY: RETENTION_TIME 67.47903 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13 XCMS groupid (grpid): 12 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15 PK$NUM_PEAK: 1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
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17 112.050888061523 440629.6875 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
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18 |
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f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
19 RECORD_TITLE: MZ:112.0507 | RT:67.6 | grpid:12 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
20 MS$FOCUSED_ION: PRECURSOR_M/Z 112.050743103027 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
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21 AC$CHROMATOGRAPHY: RETENTION_TIME 67.634034 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
22 XCMS groupid (grpid): 12 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
23 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
24 PK$NUM_PEAK: 2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
25 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
26 112.050880432129 565117.25 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
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27 126.53768157959 2499.31469726562 0.44 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
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28 |
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f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
29 RECORD_TITLE: MZ:112.0507 | RT:67.6 | grpid:12 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
30 MS$FOCUSED_ION: PRECURSOR_M/Z 112.050743103027 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
31 AC$CHROMATOGRAPHY: RETENTION_TIME 67.634034 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
32 XCMS groupid (grpid): 12 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
33 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
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34 PK$NUM_PEAK: 2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
35 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
36 112.050880432129 565117.25 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
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37 126.53768157959 2499.31469726562 0.44 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
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38 |
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f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
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39 RECORD_TITLE: MZ:113.0347 | RT:83.4 | grpid:14 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
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40 MS$FOCUSED_ION: PRECURSOR_M/Z 113.034736633301 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
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41 AC$CHROMATOGRAPHY: RETENTION_TIME 83.441172 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
42 XCMS groupid (grpid): 14 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
43 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
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44 PK$NUM_PEAK: 1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
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45 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
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46 113.034782409668 13262784 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
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47 |
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f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
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48 RECORD_TITLE: MZ:113.0347 | RT:83.4 | grpid:14 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
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49 MS$FOCUSED_ION: PRECURSOR_M/Z 113.034736633301 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
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50 AC$CHROMATOGRAPHY: RETENTION_TIME 83.441172 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
51 XCMS groupid (grpid): 14 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
52 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
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53 PK$NUM_PEAK: 1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
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54 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
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55 113.034782409668 13262784 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
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56 |
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f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
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57 RECORD_TITLE: MZ:113.0347 | RT:83.6 | grpid:14 | file:2 |
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f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
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58 MS$FOCUSED_ION: PRECURSOR_M/Z 113.034736633301 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
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59 AC$CHROMATOGRAPHY: RETENTION_TIME 83.64567 |
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f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
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60 XCMS groupid (grpid): 14 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
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61 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
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62 PK$NUM_PEAK: 2 |
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f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
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63 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
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64 112.999992370605 67035.0703125 0.84 |
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f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
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65 113.034805297852 7964904.5 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
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66 |
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f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
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67 RECORD_TITLE: MZ:113.0347 | RT:83.6 | grpid:14 | file:2 |
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f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
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68 MS$FOCUSED_ION: PRECURSOR_M/Z 113.034736633301 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
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69 AC$CHROMATOGRAPHY: RETENTION_TIME 83.64567 |
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f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
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70 XCMS groupid (grpid): 14 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
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71 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
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72 PK$NUM_PEAK: 2 |
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f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
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73 PK$PEAK: m/z int. rel.int. |
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f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
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74 112.999992370605 67035.0703125 0.84 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
75 113.034805297852 7964904.5 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
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76 |
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f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
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77 RECORD_TITLE: MZ:113.0347 | RT:83.6 | grpid:14 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
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78 MS$FOCUSED_ION: PRECURSOR_M/Z 113.034713745117 |
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f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
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79 AC$CHROMATOGRAPHY: RETENTION_TIME 83.64567 |
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f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
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diff
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80 XCMS groupid (grpid): 14 |
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81 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
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82 PK$NUM_PEAK: 9 |
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83 PK$PEAK: m/z int. rel.int. |
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84 111.010963439941 2912.13012695312 1.32 |
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85 113.000129699707 40987.0078125 18.63 |
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86 113.008010864258 31639.541015625 14.38 |
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87 113.034889221191 219966.0625 100 |
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88 113.060173034668 14124.5009765625 6.42 |
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89 113.070793151855 3284.5654296875 1.49 |
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90 113.107765197754 7978.56494140625 3.63 |
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91 122.0078125 3665.08813476562 1.67 |
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92 133.994140625 1813.58288574219 0.82 |
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93 |
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94 RECORD_TITLE: MZ:113.0347 | RT:83.6 | grpid:14 | file:2 |
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95 MS$FOCUSED_ION: PRECURSOR_M/Z 113.034713745117 |
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96 AC$CHROMATOGRAPHY: RETENTION_TIME 83.64567 |
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97 XCMS groupid (grpid): 14 |
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98 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
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99 PK$NUM_PEAK: 9 |
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100 PK$PEAK: m/z int. rel.int. |
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101 111.010963439941 2912.13012695312 1.32 |
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102 113.000129699707 40987.0078125 18.63 |
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103 113.008010864258 31639.541015625 14.38 |
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104 113.034889221191 219966.0625 100 |
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105 113.060173034668 14124.5009765625 6.42 |
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106 113.070793151855 3284.5654296875 1.49 |
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107 113.107765197754 7978.56494140625 3.63 |
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108 122.0078125 3665.08813476562 1.67 |
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109 133.994140625 1813.58288574219 0.82 |
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110 |
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111 RECORD_TITLE: MZ:116.0708 | RT:47.7 | grpid:17 | file:1 |
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112 MS$FOCUSED_ION: PRECURSOR_M/Z 116.070838928223 |
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113 AC$CHROMATOGRAPHY: RETENTION_TIME 47.662548 |
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114 XCMS groupid (grpid): 17 |
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115 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
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116 PK$NUM_PEAK: 3 |
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117 PK$PEAK: m/z int. rel.int. |
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118 116.016784667969 3725.93701171875 3.82 |
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119 116.070854187012 97631.5859375 100 |
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120 116.107086181641 3945.32666015625 4.04 |
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121 |
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122 RECORD_TITLE: MZ:116.0708 | RT:47.7 | grpid:17 | file:1 |
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123 MS$FOCUSED_ION: PRECURSOR_M/Z 116.070838928223 |
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124 AC$CHROMATOGRAPHY: RETENTION_TIME 47.662548 |
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125 XCMS groupid (grpid): 17 |
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126 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
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127 PK$NUM_PEAK: 3 |
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128 PK$PEAK: m/z int. rel.int. |
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129 116.016784667969 3725.93701171875 3.82 |
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130 116.070854187012 97631.5859375 100 |
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131 116.107086181641 3945.32666015625 4.04 |
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132 |
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133 RECORD_TITLE: MZ:116.0708 | RT:47.7 | grpid:17 | file:1 |
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134 MS$FOCUSED_ION: PRECURSOR_M/Z 116.070831298828 |
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135 AC$CHROMATOGRAPHY: RETENTION_TIME 47.662548 |
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136 XCMS groupid (grpid): 17 |
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137 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
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138 PK$NUM_PEAK: 4 |
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139 PK$PEAK: m/z int. rel.int. |
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140 103.129020690918 4419.71240234375 0.25 |
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141 116.016410827637 5682.14404296875 0.32 |
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142 116.070899963379 1782171 100 |
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143 130.027648925781 4081.13793945312 0.23 |
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144 |
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145 RECORD_TITLE: MZ:116.0708 | RT:47.7 | grpid:17 | file:1 |
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146 MS$FOCUSED_ION: PRECURSOR_M/Z 116.070831298828 |
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147 AC$CHROMATOGRAPHY: RETENTION_TIME 47.662548 |
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148 XCMS groupid (grpid): 17 |
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149 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
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150 PK$NUM_PEAK: 4 |
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151 PK$PEAK: m/z int. rel.int. |
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152 103.129020690918 4419.71240234375 0.25 |
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153 116.016410827637 5682.14404296875 0.32 |
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154 116.070899963379 1782171 100 |
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155 130.027648925781 4081.13793945312 0.23 |
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156 |
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157 RECORD_TITLE: MZ:116.0708 | RT:47.7 | grpid:17 | file:1 |
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158 MS$FOCUSED_ION: PRECURSOR_M/Z 116.070770263672 |
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159 AC$CHROMATOGRAPHY: RETENTION_TIME 47.662548 |
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160 XCMS groupid (grpid): 17 |
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161 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
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162 PK$NUM_PEAK: 3 |
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163 PK$PEAK: m/z int. rel.int. |
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164 116.016830444336 14364.7841796875 9.61 |
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165 116.070922851562 149471.265625 100 |
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166 116.107421875 8359.9033203125 5.59 |
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167 |
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168 RECORD_TITLE: MZ:116.0708 | RT:47.7 | grpid:17 | file:1 |
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169 MS$FOCUSED_ION: PRECURSOR_M/Z 116.070770263672 |
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170 AC$CHROMATOGRAPHY: RETENTION_TIME 47.662548 |
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171 XCMS groupid (grpid): 17 |
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172 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
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173 PK$NUM_PEAK: 3 |
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174 PK$PEAK: m/z int. rel.int. |
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175 116.016830444336 14364.7841796875 9.61 |
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176 116.070922851562 149471.265625 100 |
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177 116.107421875 8359.9033203125 5.59 |
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178 |
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179 RECORD_TITLE: MZ:116.0708 | RT:47.8 | grpid:17 | file:2 |
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180 MS$FOCUSED_ION: PRECURSOR_M/Z 116.070816040039 |
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181 AC$CHROMATOGRAPHY: RETENTION_TIME 47.814411 |
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182 XCMS groupid (grpid): 17 |
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183 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
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184 PK$NUM_PEAK: 4 |
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185 PK$PEAK: m/z int. rel.int. |
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186 107.270111083984 1726.61291503906 1.71 |
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187 116.016410827637 2890.4951171875 2.87 |
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188 116.070892333984 100876.1328125 100 |
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189 116.107200622559 2424.61303710938 2.4 |
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190 |
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191 RECORD_TITLE: MZ:116.0708 | RT:47.8 | grpid:17 | file:2 |
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192 MS$FOCUSED_ION: PRECURSOR_M/Z 116.070816040039 |
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193 AC$CHROMATOGRAPHY: RETENTION_TIME 47.814411 |
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194 XCMS groupid (grpid): 17 |
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195 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
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196 PK$NUM_PEAK: 4 |
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197 PK$PEAK: m/z int. rel.int. |
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198 107.270111083984 1726.61291503906 1.71 |
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199 116.016410827637 2890.4951171875 2.87 |
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200 116.070892333984 100876.1328125 100 |
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201 116.107200622559 2424.61303710938 2.4 |
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202 |
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203 RECORD_TITLE: MZ:116.0708 | RT:47.8 | grpid:17 | file:2 |
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204 MS$FOCUSED_ION: PRECURSOR_M/Z 116.070823669434 |
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205 AC$CHROMATOGRAPHY: RETENTION_TIME 47.814411 |
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206 XCMS groupid (grpid): 17 |
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207 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
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208 PK$NUM_PEAK: 1 |
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209 PK$PEAK: m/z int. rel.int. |
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210 116.070892333984 1847702.625 100 |
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211 |
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212 RECORD_TITLE: MZ:116.0708 | RT:47.8 | grpid:17 | file:2 |
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213 MS$FOCUSED_ION: PRECURSOR_M/Z 116.070823669434 |
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214 AC$CHROMATOGRAPHY: RETENTION_TIME 47.814411 |
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215 XCMS groupid (grpid): 17 |
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216 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
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217 PK$NUM_PEAK: 1 |
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218 PK$PEAK: m/z int. rel.int. |
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219 116.070892333984 1847702.625 100 |
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220 |
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221 RECORD_TITLE: MZ:116.0708 | RT:47.8 | grpid:17 | file:2 |
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222 MS$FOCUSED_ION: PRECURSOR_M/Z 116.070785522461 |
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223 AC$CHROMATOGRAPHY: RETENTION_TIME 47.814411 |
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224 XCMS groupid (grpid): 17 |
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225 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
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226 PK$NUM_PEAK: 3 |
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227 PK$PEAK: m/z int. rel.int. |
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228 116.016609191895 4434.369140625 2.68 |
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229 116.070899963379 165623.640625 100 |
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230 116.107322692871 11372.48828125 6.87 |
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231 |
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232 RECORD_TITLE: MZ:116.0708 | RT:47.8 | grpid:17 | file:2 |
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233 MS$FOCUSED_ION: PRECURSOR_M/Z 116.070785522461 |
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234 AC$CHROMATOGRAPHY: RETENTION_TIME 47.814411 |
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235 XCMS groupid (grpid): 17 |
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236 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
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237 PK$NUM_PEAK: 3 |
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238 PK$PEAK: m/z int. rel.int. |
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239 116.016609191895 4434.369140625 2.68 |
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240 116.070899963379 165623.640625 100 |
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241 116.107322692871 11372.48828125 6.87 |
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242 |
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243 RECORD_TITLE: MZ:132.1018 | RT:73.5 | grpid:41 | file:1 |
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244 MS$FOCUSED_ION: PRECURSOR_M/Z 132.101821899414 |
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245 AC$CHROMATOGRAPHY: RETENTION_TIME 73.529172 |
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246 XCMS groupid (grpid): 41 |
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247 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
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248 PK$NUM_PEAK: 2 |
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249 PK$PEAK: m/z int. rel.int. |
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250 117.877166748047 5004.6640625 1.83 |
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251 132.101867675781 273406.25 100 |
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252 |
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253 RECORD_TITLE: MZ:132.1018 | RT:73.5 | grpid:41 | file:1 |
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254 MS$FOCUSED_ION: PRECURSOR_M/Z 132.101821899414 |
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255 AC$CHROMATOGRAPHY: RETENTION_TIME 73.529172 |
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256 XCMS groupid (grpid): 41 |
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257 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
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258 PK$NUM_PEAK: 2 |
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259 PK$PEAK: m/z int. rel.int. |
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260 117.877166748047 5004.6640625 1.83 |
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261 132.101867675781 273406.25 100 |
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262 |
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263 RECORD_TITLE: MZ:132.1019 | RT:73.5 | grpid:41 | file:1 |
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264 MS$FOCUSED_ION: PRECURSOR_M/Z 132.101867675781 |
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265 AC$CHROMATOGRAPHY: RETENTION_TIME 73.529172 |
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266 XCMS groupid (grpid): 41 |
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267 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
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268 PK$NUM_PEAK: 2 |
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269 PK$PEAK: m/z int. rel.int. |
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270 130.186950683594 121726.4453125 3.06 |
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271 132.102035522461 3973065.5 100 |
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272 |
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273 RECORD_TITLE: MZ:132.1019 | RT:73.5 | grpid:41 | file:1 |
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274 MS$FOCUSED_ION: PRECURSOR_M/Z 132.101867675781 |
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275 AC$CHROMATOGRAPHY: RETENTION_TIME 73.529172 |
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276 XCMS groupid (grpid): 41 |
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277 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
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278 PK$NUM_PEAK: 2 |
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279 PK$PEAK: m/z int. rel.int. |
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280 130.186950683594 121726.4453125 3.06 |
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281 132.102035522461 3973065.5 100 |
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282 |
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283 RECORD_TITLE: MZ:132.1019 | RT:73.5 | grpid:41 | file:1 |
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284 MS$FOCUSED_ION: PRECURSOR_M/Z 132.101852416992 |
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285 AC$CHROMATOGRAPHY: RETENTION_TIME 73.529172 |
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286 XCMS groupid (grpid): 41 |
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287 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
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288 PK$NUM_PEAK: 1 |
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289 PK$PEAK: m/z int. rel.int. |
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290 132.102142333984 77799.46875 100 |
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291 |
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292 RECORD_TITLE: MZ:132.1019 | RT:73.5 | grpid:41 | file:1 |
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293 MS$FOCUSED_ION: PRECURSOR_M/Z 132.101852416992 |
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294 AC$CHROMATOGRAPHY: RETENTION_TIME 73.529172 |
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295 XCMS groupid (grpid): 41 |
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296 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
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297 PK$NUM_PEAK: 1 |
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298 PK$PEAK: m/z int. rel.int. |
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299 132.102142333984 77799.46875 100 |
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300 |
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301 RECORD_TITLE: MZ:132.1019 | RT:73.7 | grpid:41 | file:2 |
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302 MS$FOCUSED_ION: PRECURSOR_M/Z 132.101852416992 |
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303 AC$CHROMATOGRAPHY: RETENTION_TIME 73.692786 |
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304 XCMS groupid (grpid): 41 |
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305 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
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306 PK$NUM_PEAK: 3 |
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307 PK$PEAK: m/z int. rel.int. |
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308 132.101989746094 402822.6875 100 |
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309 144.278900146484 7715.68994140625 1.92 |
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310 146.682891845703 7014.509765625 1.74 |
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311 |
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312 RECORD_TITLE: MZ:132.1019 | RT:73.7 | grpid:41 | file:2 |
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313 MS$FOCUSED_ION: PRECURSOR_M/Z 132.101852416992 |
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314 AC$CHROMATOGRAPHY: RETENTION_TIME 73.692786 |
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315 XCMS groupid (grpid): 41 |
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316 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
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317 PK$NUM_PEAK: 3 |
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318 PK$PEAK: m/z int. rel.int. |
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319 132.101989746094 402822.6875 100 |
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320 144.278900146484 7715.68994140625 1.92 |
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321 146.682891845703 7014.509765625 1.74 |
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322 |
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323 RECORD_TITLE: MZ:132.1018 | RT:73.7 | grpid:41 | file:2 |
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planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
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324 MS$FOCUSED_ION: PRECURSOR_M/Z 132.101806640625 |
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325 AC$CHROMATOGRAPHY: RETENTION_TIME 73.692786 |
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326 XCMS groupid (grpid): 41 |
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327 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
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328 PK$NUM_PEAK: 2 |
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329 PK$PEAK: m/z int. rel.int. |
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330 104.964813232422 111113.6796875 3.34 |
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331 132.102066040039 3328366.75 100 |
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planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
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332 |
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333 RECORD_TITLE: MZ:132.1018 | RT:73.7 | grpid:41 | file:2 |
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334 MS$FOCUSED_ION: PRECURSOR_M/Z 132.101806640625 |
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335 AC$CHROMATOGRAPHY: RETENTION_TIME 73.692786 |
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336 XCMS groupid (grpid): 41 |
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337 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
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f075f67c7416
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338 PK$NUM_PEAK: 2 |
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339 PK$PEAK: m/z int. rel.int. |
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340 104.964813232422 111113.6796875 3.34 |
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planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
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341 132.102066040039 3328366.75 100 |
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planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
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342 |
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343 RECORD_TITLE: MZ:132.1019 | RT:73.7 | grpid:41 | file:2 |
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344 MS$FOCUSED_ION: PRECURSOR_M/Z 132.10188293457 |
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345 AC$CHROMATOGRAPHY: RETENTION_TIME 73.692786 |
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346 XCMS groupid (grpid): 41 |
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347 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
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348 PK$NUM_PEAK: 2 |
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349 PK$PEAK: m/z int. rel.int. |
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350 115.43724822998 2424.57958984375 3.61 |
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351 132.102035522461 67118.03125 100 |
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planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
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352 |
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353 RECORD_TITLE: MZ:132.1019 | RT:73.7 | grpid:41 | file:2 |
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354 MS$FOCUSED_ION: PRECURSOR_M/Z 132.10188293457 |
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355 AC$CHROMATOGRAPHY: RETENTION_TIME 73.692786 |
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planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
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356 XCMS groupid (grpid): 41 |
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357 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
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planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
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358 PK$NUM_PEAK: 2 |
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359 PK$PEAK: m/z int. rel.int. |
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planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
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360 115.43724822998 2424.57958984375 3.61 |
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f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
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361 132.102035522461 67118.03125 100 |
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planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
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362 |
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363 RECORD_TITLE: MZ:137.0457 | RT:127 | grpid:47 | file:1 |
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364 MS$FOCUSED_ION: PRECURSOR_M/Z 137.045669555664 |
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f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
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365 AC$CHROMATOGRAPHY: RETENTION_TIME 126.956946 |
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planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
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366 XCMS groupid (grpid): 47 |
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planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
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367 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
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368 PK$NUM_PEAK: 7 |
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369 PK$PEAK: m/z int. rel.int. |
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370 110.03524017334 25444.263671875 4.06 |
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planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
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371 112.051010131836 2055.68725585938 0.33 |
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planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
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372 119.035636901855 19219.568359375 3.07 |
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f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
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373 127.993309020996 1960.09631347656 0.31 |
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f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
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374 136.124038696289 2269.25805664062 0.36 |
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f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
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375 137.045867919922 626313 100 |
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planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
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376 154.112442016602 2006.76232910156 0.32 |
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377 |
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378 RECORD_TITLE: MZ:137.0457 | RT:127 | grpid:47 | file:1 |
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379 MS$FOCUSED_ION: PRECURSOR_M/Z 137.045669555664 |
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planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
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380 AC$CHROMATOGRAPHY: RETENTION_TIME 126.956946 |
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planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
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381 XCMS groupid (grpid): 47 |
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382 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
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383 PK$NUM_PEAK: 7 |
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planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
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384 PK$PEAK: m/z int. rel.int. |
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planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
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385 110.03524017334 25444.263671875 4.06 |
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planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
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386 112.051010131836 2055.68725585938 0.33 |
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387 119.035636901855 19219.568359375 3.07 |
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f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
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388 127.993309020996 1960.09631347656 0.31 |
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planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
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389 136.124038696289 2269.25805664062 0.36 |
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390 137.045867919922 626313 100 |
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planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
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391 154.112442016602 2006.76232910156 0.32 |
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f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
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392 |
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393 RECORD_TITLE: MZ:137.0456 | RT:127 | grpid:47 | file:1 |
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394 MS$FOCUSED_ION: PRECURSOR_M/Z 137.045639038086 |
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f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
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395 AC$CHROMATOGRAPHY: RETENTION_TIME 126.956946 |
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planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
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396 XCMS groupid (grpid): 47 |
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planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
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397 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
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f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
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398 PK$NUM_PEAK: 9 |
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planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
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399 PK$PEAK: m/z int. rel.int. |
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f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
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400 104.860054016113 30638.400390625 0.09 |
|
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planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
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|
401 110.028198242188 67928.296875 0.21 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
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|
402 110.035293579102 1441146.625 4.36 |
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planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
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|
403 110.559509277344 33952.66015625 0.1 |
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f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
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404 112.050506591797 73567.3125 0.22 |
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f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
405 119.035423278809 1085099.625 3.28 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
406 128.045852661133 75962.28125 0.23 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
407 137.045822143555 33090892 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
408 138.030548095703 43127.65234375 0.13 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
409 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
410 RECORD_TITLE: MZ:137.0456 | RT:127 | grpid:47 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
411 MS$FOCUSED_ION: PRECURSOR_M/Z 137.045639038086 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
412 AC$CHROMATOGRAPHY: RETENTION_TIME 126.956946 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
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413 XCMS groupid (grpid): 47 |
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f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
414 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
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f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
415 PK$NUM_PEAK: 9 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
416 PK$PEAK: m/z int. rel.int. |
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f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
417 104.860054016113 30638.400390625 0.09 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
418 110.028198242188 67928.296875 0.21 |
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f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
419 110.035293579102 1441146.625 4.36 |
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f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
420 110.559509277344 33952.66015625 0.1 |
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f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
421 112.050506591797 73567.3125 0.22 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
422 119.035423278809 1085099.625 3.28 |
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f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
423 128.045852661133 75962.28125 0.23 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
424 137.045822143555 33090892 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
425 138.030548095703 43127.65234375 0.13 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
426 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
427 RECORD_TITLE: MZ:137.0457 | RT:127.2 | grpid:47 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
428 MS$FOCUSED_ION: PRECURSOR_M/Z 137.045669555664 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
429 AC$CHROMATOGRAPHY: RETENTION_TIME 127.214454 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
430 XCMS groupid (grpid): 47 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
431 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
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f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
432 PK$NUM_PEAK: 7 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
433 PK$PEAK: m/z int. rel.int. |
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f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
434 109.06566619873 2550.77392578125 0.31 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
435 110.035385131836 39166.78515625 4.69 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
436 112.050643920898 2451.17553710938 0.29 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
437 119.035369873047 30733.126953125 3.68 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
438 137.045852661133 835163 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
439 138.029312133789 2125.6455078125 0.25 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
440 159.283874511719 2343.61376953125 0.28 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
441 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
442 RECORD_TITLE: MZ:137.0457 | RT:127.2 | grpid:47 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
443 MS$FOCUSED_ION: PRECURSOR_M/Z 137.045669555664 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
444 AC$CHROMATOGRAPHY: RETENTION_TIME 127.214454 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
445 XCMS groupid (grpid): 47 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
446 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
447 PK$NUM_PEAK: 7 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
448 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
449 109.06566619873 2550.77392578125 0.31 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
450 110.035385131836 39166.78515625 4.69 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
451 112.050643920898 2451.17553710938 0.29 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
452 119.035369873047 30733.126953125 3.68 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
453 137.045852661133 835163 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
454 138.029312133789 2125.6455078125 0.25 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
455 159.283874511719 2343.61376953125 0.28 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
456 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
457 RECORD_TITLE: MZ:137.0456 | RT:127.2 | grpid:47 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
458 MS$FOCUSED_ION: PRECURSOR_M/Z 137.045623779297 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
459 AC$CHROMATOGRAPHY: RETENTION_TIME 127.214454 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
460 XCMS groupid (grpid): 47 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
461 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
462 PK$NUM_PEAK: 6 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
463 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
464 110.035171508789 541516.5625 4.44 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
465 112.050842285156 21607.146484375 0.18 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
466 119.020355224609 16488.48828125 0.14 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
467 119.035461425781 370753.6875 3.04 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
468 128.04508972168 18434.0234375 0.15 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
469 137.045776367188 12204322 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
470 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
471 RECORD_TITLE: MZ:137.0456 | RT:127.2 | grpid:47 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
472 MS$FOCUSED_ION: PRECURSOR_M/Z 137.045623779297 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
473 AC$CHROMATOGRAPHY: RETENTION_TIME 127.214454 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
474 XCMS groupid (grpid): 47 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
475 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
476 PK$NUM_PEAK: 6 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
477 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
478 110.035171508789 541516.5625 4.44 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
479 112.050842285156 21607.146484375 0.18 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
480 119.020355224609 16488.48828125 0.14 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
481 119.035461425781 370753.6875 3.04 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
482 128.04508972168 18434.0234375 0.15 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
483 137.045776367188 12204322 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
484 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
485 RECORD_TITLE: MZ:138.0548 | RT:50.7 | grpid:48 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
486 MS$FOCUSED_ION: PRECURSOR_M/Z 138.054763793945 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
487 AC$CHROMATOGRAPHY: RETENTION_TIME 50.6971758 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
488 XCMS groupid (grpid): 48 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
489 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
490 PK$NUM_PEAK: 9 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
491 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
492 110.06037902832 154849 5.48 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
493 110.07154083252 10831.705078125 0.38 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
494 112.638984680176 2110.72314453125 0.07 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
495 125.82527923584 2704.64916992188 0.1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
496 133.075561523438 2757.38256835938 0.1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
497 138.054885864258 2827643.5 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
498 142.371643066406 2126.2236328125 0.08 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
499 149.295120239258 2391.84985351562 0.08 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
500 154.050003051758 4839.1943359375 0.17 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
501 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
502 RECORD_TITLE: MZ:138.0548 | RT:50.7 | grpid:48 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
503 MS$FOCUSED_ION: PRECURSOR_M/Z 138.054763793945 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
504 AC$CHROMATOGRAPHY: RETENTION_TIME 50.6971758 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
505 XCMS groupid (grpid): 48 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
506 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
507 PK$NUM_PEAK: 9 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
508 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
509 110.06037902832 154849 5.48 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
510 110.07154083252 10831.705078125 0.38 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
511 112.638984680176 2110.72314453125 0.07 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
512 125.82527923584 2704.64916992188 0.1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
513 133.075561523438 2757.38256835938 0.1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
514 138.054885864258 2827643.5 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
515 142.371643066406 2126.2236328125 0.08 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
516 149.295120239258 2391.84985351562 0.08 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
517 154.050003051758 4839.1943359375 0.17 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
518 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
519 RECORD_TITLE: MZ:138.0549 | RT:50.7 | grpid:48 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
520 MS$FOCUSED_ION: PRECURSOR_M/Z 138.05485534668 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
521 AC$CHROMATOGRAPHY: RETENTION_TIME 50.6971758 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
522 XCMS groupid (grpid): 48 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
523 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
524 PK$NUM_PEAK: 5 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
525 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
526 110.060394287109 809952.625 6.12 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
527 110.07243347168 14605.1689453125 0.11 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
528 133.07551574707 8368.701171875 0.06 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
529 138.054916381836 13243313 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
530 154.049591064453 40592.00390625 0.31 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
531 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
532 RECORD_TITLE: MZ:138.0549 | RT:50.7 | grpid:48 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
533 MS$FOCUSED_ION: PRECURSOR_M/Z 138.05485534668 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
534 AC$CHROMATOGRAPHY: RETENTION_TIME 50.6971758 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
535 XCMS groupid (grpid): 48 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
536 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
537 PK$NUM_PEAK: 5 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
538 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
539 110.060394287109 809952.625 6.12 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
540 110.07243347168 14605.1689453125 0.11 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
541 133.07551574707 8368.701171875 0.06 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
542 138.054916381836 13243313 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
543 154.049591064453 40592.00390625 0.31 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
544 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
545 RECORD_TITLE: MZ:138.0547 | RT:50.7 | grpid:48 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
546 MS$FOCUSED_ION: PRECURSOR_M/Z 138.054748535156 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
547 AC$CHROMATOGRAPHY: RETENTION_TIME 50.6971758 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
548 XCMS groupid (grpid): 48 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
549 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
550 PK$NUM_PEAK: 15 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
551 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
552 104.561706542969 2237.48193359375 0.8 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
553 105.649337768555 1918.06628417969 0.69 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
554 110.060264587402 14235.369140625 5.1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
555 112.067329406738 3035.64477539062 1.09 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
556 112.076034545898 2861.85229492188 1.03 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
557 114.089561462402 7900.39501953125 2.83 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
558 122.043327331543 19102.623046875 6.85 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
559 122.060127258301 17191.40234375 6.16 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
560 125.941802978516 2050.11328125 0.73 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
561 132.706451416016 2605.63745117188 0.93 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
562 138.054718017578 7778.22119140625 2.79 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
563 140.059799194336 278945.53125 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
564 140.068283081055 34274.2890625 12.29 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
565 151.918930053711 2187.79418945312 0.78 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
566 154.676849365234 1895.96264648438 0.68 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
567 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
568 RECORD_TITLE: MZ:138.0547 | RT:50.7 | grpid:48 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
569 MS$FOCUSED_ION: PRECURSOR_M/Z 138.054748535156 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
570 AC$CHROMATOGRAPHY: RETENTION_TIME 50.6971758 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
571 XCMS groupid (grpid): 48 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
572 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
573 PK$NUM_PEAK: 15 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
574 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
575 104.561706542969 2237.48193359375 0.8 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
576 105.649337768555 1918.06628417969 0.69 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
577 110.060264587402 14235.369140625 5.1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
578 112.067329406738 3035.64477539062 1.09 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
579 112.076034545898 2861.85229492188 1.03 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
580 114.089561462402 7900.39501953125 2.83 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
581 122.043327331543 19102.623046875 6.85 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
582 122.060127258301 17191.40234375 6.16 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
583 125.941802978516 2050.11328125 0.73 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
584 132.706451416016 2605.63745117188 0.93 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
585 138.054718017578 7778.22119140625 2.79 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
586 140.059799194336 278945.53125 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
587 140.068283081055 34274.2890625 12.29 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
588 151.918930053711 2187.79418945312 0.78 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
589 154.676849365234 1895.96264648438 0.68 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
590 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
591 RECORD_TITLE: MZ:138.0548 | RT:50.7 | grpid:48 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
592 MS$FOCUSED_ION: PRECURSOR_M/Z 138.054809570312 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
593 AC$CHROMATOGRAPHY: RETENTION_TIME 50.6971758 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
594 XCMS groupid (grpid): 48 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
595 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
596 PK$NUM_PEAK: 4 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
597 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
598 110.060348510742 36283.7578125 6.69 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
599 110.07194519043 2731.20166015625 0.5 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
600 138.018905639648 16821.951171875 3.1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
601 138.055023193359 542459.3125 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
602 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
603 RECORD_TITLE: MZ:138.0548 | RT:50.7 | grpid:48 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
604 MS$FOCUSED_ION: PRECURSOR_M/Z 138.054809570312 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
605 AC$CHROMATOGRAPHY: RETENTION_TIME 50.6971758 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
606 XCMS groupid (grpid): 48 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
607 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
608 PK$NUM_PEAK: 4 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
609 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
610 110.060348510742 36283.7578125 6.69 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
611 110.07194519043 2731.20166015625 0.5 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
612 138.018905639648 16821.951171875 3.1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
613 138.055023193359 542459.3125 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
614 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
615 RECORD_TITLE: MZ:138.0548 | RT:50.8 | grpid:48 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
616 MS$FOCUSED_ION: PRECURSOR_M/Z 138.054809570312 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
617 AC$CHROMATOGRAPHY: RETENTION_TIME 50.8435338 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
618 XCMS groupid (grpid): 48 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
619 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
620 PK$NUM_PEAK: 7 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
621 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
622 110.060409545898 151747.359375 6.55 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
623 110.071807861328 12626.90234375 0.54 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
624 128.93376159668 2266.6416015625 0.1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
625 136.491333007812 2493.95458984375 0.11 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
626 138.054901123047 2317689.75 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
627 154.049453735352 5643.62890625 0.24 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
628 159.010818481445 2415.3876953125 0.1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
629 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
630 RECORD_TITLE: MZ:138.0548 | RT:50.8 | grpid:48 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
631 MS$FOCUSED_ION: PRECURSOR_M/Z 138.054809570312 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
632 AC$CHROMATOGRAPHY: RETENTION_TIME 50.8435338 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
633 XCMS groupid (grpid): 48 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
634 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
635 PK$NUM_PEAK: 7 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
636 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
637 110.060409545898 151747.359375 6.55 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
638 110.071807861328 12626.90234375 0.54 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
639 128.93376159668 2266.6416015625 0.1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
640 136.491333007812 2493.95458984375 0.11 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
641 138.054901123047 2317689.75 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
642 154.049453735352 5643.62890625 0.24 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
643 159.010818481445 2415.3876953125 0.1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
644 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
645 RECORD_TITLE: MZ:138.0548 | RT:50.8 | grpid:48 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
646 MS$FOCUSED_ION: PRECURSOR_M/Z 138.054809570312 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
647 AC$CHROMATOGRAPHY: RETENTION_TIME 50.8435338 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
648 XCMS groupid (grpid): 48 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
649 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
650 PK$NUM_PEAK: 4 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
651 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
652 110.060356140137 460011.53125 6.05 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
653 133.075698852539 4484.33251953125 0.06 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
654 138.054885864258 7605866.5 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
655 154.049728393555 24022.63671875 0.32 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
656 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
657 RECORD_TITLE: MZ:138.0548 | RT:50.8 | grpid:48 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
658 MS$FOCUSED_ION: PRECURSOR_M/Z 138.054809570312 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
659 AC$CHROMATOGRAPHY: RETENTION_TIME 50.8435338 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
660 XCMS groupid (grpid): 48 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
661 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
662 PK$NUM_PEAK: 4 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
663 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
664 110.060356140137 460011.53125 6.05 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
665 133.075698852539 4484.33251953125 0.06 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
666 138.054885864258 7605866.5 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
667 154.049728393555 24022.63671875 0.32 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
668 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
669 RECORD_TITLE: MZ:138.0548 | RT:50.8 | grpid:48 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
670 MS$FOCUSED_ION: PRECURSOR_M/Z 138.054824829102 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
671 AC$CHROMATOGRAPHY: RETENTION_TIME 50.8435338 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
672 XCMS groupid (grpid): 48 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
673 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
674 PK$NUM_PEAK: 9 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
675 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
676 110.060348510742 4069.12109375 5.01 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
677 122.04337310791 4113.560546875 5.07 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
678 122.060043334961 10164.9873046875 12.53 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
679 138.054672241211 2520.85302734375 3.11 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
680 140.034606933594 2762.57080078125 3.4 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
681 140.059844970703 81146.265625 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
682 140.068984985352 20009.826171875 24.66 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
683 140.080047607422 3898.39721679688 4.8 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
684 140.11799621582 2213.65893554688 2.73 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
685 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
686 RECORD_TITLE: MZ:138.0548 | RT:50.8 | grpid:48 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
687 MS$FOCUSED_ION: PRECURSOR_M/Z 138.054824829102 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
688 AC$CHROMATOGRAPHY: RETENTION_TIME 50.8435338 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
689 XCMS groupid (grpid): 48 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
690 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
691 PK$NUM_PEAK: 9 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
692 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
693 110.060348510742 4069.12109375 5.01 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
694 122.04337310791 4113.560546875 5.07 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
695 122.060043334961 10164.9873046875 12.53 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
696 138.054672241211 2520.85302734375 3.11 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
697 140.034606933594 2762.57080078125 3.4 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
698 140.059844970703 81146.265625 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
699 140.068984985352 20009.826171875 24.66 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
700 140.080047607422 3898.39721679688 4.8 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
701 140.11799621582 2213.65893554688 2.73 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
702 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
703 RECORD_TITLE: MZ:138.0548 | RT:50.8 | grpid:48 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
704 MS$FOCUSED_ION: PRECURSOR_M/Z 138.054779052734 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
705 AC$CHROMATOGRAPHY: RETENTION_TIME 50.8435338 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
706 XCMS groupid (grpid): 48 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
707 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
708 PK$NUM_PEAK: 7 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
709 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
710 107.285202026367 2362.6787109375 0.64 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
711 110.060592651367 32966.80859375 8.97 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
712 110.071556091309 3176.22973632812 0.86 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
713 138.017440795898 19174.861328125 5.22 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
714 138.05500793457 367633.15625 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
715 147.150115966797 2258.70825195312 0.61 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
716 154.634841918945 2410.57446289062 0.66 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
717 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
718 RECORD_TITLE: MZ:138.0548 | RT:50.8 | grpid:48 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
719 MS$FOCUSED_ION: PRECURSOR_M/Z 138.054779052734 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
720 AC$CHROMATOGRAPHY: RETENTION_TIME 50.8435338 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
721 XCMS groupid (grpid): 48 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
722 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
723 PK$NUM_PEAK: 7 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
724 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
725 107.285202026367 2362.6787109375 0.64 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
726 110.060592651367 32966.80859375 8.97 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
727 110.071556091309 3176.22973632812 0.86 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
728 138.017440795898 19174.861328125 5.22 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
729 138.05500793457 367633.15625 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
730 147.150115966797 2258.70825195312 0.61 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
731 154.634841918945 2410.57446289062 0.66 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
732 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
733 RECORD_TITLE: MZ:138.0488 | RT:127 | grpid:49 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
734 MS$FOCUSED_ION: PRECURSOR_M/Z 138.048767089844 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
735 AC$CHROMATOGRAPHY: RETENTION_TIME 126.956946 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
736 XCMS groupid (grpid): 49 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
737 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
738 PK$NUM_PEAK: 7 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
739 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
740 110.035133361816 4197.11962890625 1.03 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
741 111.032066345215 2933.20043945312 0.72 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
742 111.03865814209 19436.671875 4.75 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
743 120.031585693359 3442.69409179688 0.84 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
744 120.038940429688 10890.13671875 2.66 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
745 131.267166137695 2650.74243164062 0.65 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
746 138.049896240234 408864.25 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
747 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
748 RECORD_TITLE: MZ:138.0488 | RT:127 | grpid:49 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
749 MS$FOCUSED_ION: PRECURSOR_M/Z 138.048767089844 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
750 AC$CHROMATOGRAPHY: RETENTION_TIME 126.956946 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
751 XCMS groupid (grpid): 49 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
752 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
753 PK$NUM_PEAK: 7 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
754 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
755 110.035133361816 4197.11962890625 1.03 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
756 111.032066345215 2933.20043945312 0.72 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
757 111.03865814209 19436.671875 4.75 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
758 120.031585693359 3442.69409179688 0.84 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
759 120.038940429688 10890.13671875 2.66 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
760 131.267166137695 2650.74243164062 0.65 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
761 138.049896240234 408864.25 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
762 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
763 RECORD_TITLE: MZ:138.0488 | RT:126.4 | grpid:49 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
764 MS$FOCUSED_ION: PRECURSOR_M/Z 138.048797607422 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
765 AC$CHROMATOGRAPHY: RETENTION_TIME 126.441198 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
766 XCMS groupid (grpid): 49 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
767 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
768 PK$NUM_PEAK: 5 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
769 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
770 111.032066345215 4279.24560546875 0.77 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
771 111.038848876953 24677.09765625 4.42 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
772 120.038902282715 18950.03125 3.39 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
773 137.396865844727 3584.59228515625 0.64 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
774 138.05012512207 558628.8125 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
775 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
776 RECORD_TITLE: MZ:138.0488 | RT:126.4 | grpid:49 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
777 MS$FOCUSED_ION: PRECURSOR_M/Z 138.048797607422 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
778 AC$CHROMATOGRAPHY: RETENTION_TIME 126.441198 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
779 XCMS groupid (grpid): 49 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
780 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
781 PK$NUM_PEAK: 5 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
782 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
783 111.032066345215 4279.24560546875 0.77 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
784 111.038848876953 24677.09765625 4.42 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
785 120.038902282715 18950.03125 3.39 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
786 137.396865844727 3584.59228515625 0.64 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
787 138.05012512207 558628.8125 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
788 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
789 RECORD_TITLE: MZ:140.0681 | RT:46.2 | grpid:51 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
790 MS$FOCUSED_ION: PRECURSOR_M/Z 140.068130493164 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
791 AC$CHROMATOGRAPHY: RETENTION_TIME 46.161033 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
792 XCMS groupid (grpid): 51 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
793 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
794 PK$NUM_PEAK: 4 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
795 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
796 108.959754943848 2408.8056640625 0.09 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
797 114.089195251465 280537.40625 10.59 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
798 140.068115234375 2649786.75 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
799 143.032638549805 2735.88037109375 0.1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
800 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
801 RECORD_TITLE: MZ:140.0681 | RT:46.2 | grpid:51 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
802 MS$FOCUSED_ION: PRECURSOR_M/Z 140.068130493164 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
803 AC$CHROMATOGRAPHY: RETENTION_TIME 46.161033 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
804 XCMS groupid (grpid): 51 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
805 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
806 PK$NUM_PEAK: 4 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
807 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
808 108.959754943848 2408.8056640625 0.09 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
809 114.089195251465 280537.40625 10.59 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
810 140.068115234375 2649786.75 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
811 143.032638549805 2735.88037109375 0.1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
812 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
813 RECORD_TITLE: MZ:140.0681 | RT:46.3 | grpid:51 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
814 MS$FOCUSED_ION: PRECURSOR_M/Z 140.068084716797 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
815 AC$CHROMATOGRAPHY: RETENTION_TIME 46.2952926 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
816 XCMS groupid (grpid): 51 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
817 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
818 PK$NUM_PEAK: 2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
819 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
820 114.089164733887 856653.625 10.81 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
821 140.068130493164 7923872 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
822 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
823 RECORD_TITLE: MZ:140.0681 | RT:46.3 | grpid:51 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
824 MS$FOCUSED_ION: PRECURSOR_M/Z 140.068084716797 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
825 AC$CHROMATOGRAPHY: RETENTION_TIME 46.2952926 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
826 XCMS groupid (grpid): 51 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
827 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
828 PK$NUM_PEAK: 2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
829 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
830 114.089164733887 856653.625 10.81 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
831 140.068130493164 7923872 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
832 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
833 RECORD_TITLE: MZ:146.1175 | RT:46.2 | grpid:62 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
834 MS$FOCUSED_ION: PRECURSOR_M/Z 146.117492675781 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
835 AC$CHROMATOGRAPHY: RETENTION_TIME 46.161033 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
836 XCMS groupid (grpid): 62 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
837 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
838 PK$NUM_PEAK: 8 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
839 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
840 101.070411682129 2306.69653320312 0.18 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
841 102.055847167969 2466.92114257812 0.19 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
842 118.065521240234 11230.220703125 0.86 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
843 128.071258544922 5083.78173828125 0.39 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
844 130.049835205078 43469.9453125 3.31 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
845 130.086441040039 3820.66918945312 0.29 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
846 146.117553710938 1311766.875 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
847 147.075866699219 2905.49487304688 0.22 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
848 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
849 RECORD_TITLE: MZ:146.1175 | RT:46.2 | grpid:62 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
850 MS$FOCUSED_ION: PRECURSOR_M/Z 146.117492675781 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
851 AC$CHROMATOGRAPHY: RETENTION_TIME 46.161033 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
852 XCMS groupid (grpid): 62 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
853 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
854 PK$NUM_PEAK: 8 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
855 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
856 101.070411682129 2306.69653320312 0.18 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
857 102.055847167969 2466.92114257812 0.19 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
858 118.065521240234 11230.220703125 0.86 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
859 128.071258544922 5083.78173828125 0.39 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
860 130.049835205078 43469.9453125 3.31 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
861 130.086441040039 3820.66918945312 0.29 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
862 146.117553710938 1311766.875 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
863 147.075866699219 2905.49487304688 0.22 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
864 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
865 RECORD_TITLE: MZ:146.1173 | RT:46.2 | grpid:62 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
866 MS$FOCUSED_ION: PRECURSOR_M/Z 146.117309570312 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
867 AC$CHROMATOGRAPHY: RETENTION_TIME 46.161033 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
868 XCMS groupid (grpid): 62 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
869 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
870 PK$NUM_PEAK: 11 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
871 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
872 100.021820068359 11993.6435546875 1.11 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
873 108.055770874023 9930.2236328125 0.92 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
874 118.06534576416 13944.4609375 1.3 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
875 125.844314575195 2225.98388671875 0.21 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
876 128.070724487305 9680.466796875 0.9 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
877 130.049301147461 3144.66137695312 0.29 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
878 130.086624145508 3010.53491210938 0.28 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
879 146.028610229492 10309.349609375 0.96 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
880 146.059936523438 9525.1728515625 0.89 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
881 146.117538452148 1075921.125 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
882 150.785629272461 2500.5302734375 0.23 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
883 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
884 RECORD_TITLE: MZ:146.1173 | RT:46.2 | grpid:62 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
885 MS$FOCUSED_ION: PRECURSOR_M/Z 146.117309570312 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
886 AC$CHROMATOGRAPHY: RETENTION_TIME 46.161033 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
887 XCMS groupid (grpid): 62 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
888 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
889 PK$NUM_PEAK: 11 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
890 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
891 100.021820068359 11993.6435546875 1.11 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
892 108.055770874023 9930.2236328125 0.92 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
893 118.06534576416 13944.4609375 1.3 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
894 125.844314575195 2225.98388671875 0.21 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
895 128.070724487305 9680.466796875 0.9 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
896 130.049301147461 3144.66137695312 0.29 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
897 130.086624145508 3010.53491210938 0.28 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
898 146.028610229492 10309.349609375 0.96 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
899 146.059936523438 9525.1728515625 0.89 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
900 146.117538452148 1075921.125 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
901 150.785629272461 2500.5302734375 0.23 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
902 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
903 RECORD_TITLE: MZ:146.1174 | RT:46.3 | grpid:62 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
904 MS$FOCUSED_ION: PRECURSOR_M/Z 146.117416381836 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
905 AC$CHROMATOGRAPHY: RETENTION_TIME 46.2952926 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
906 XCMS groupid (grpid): 62 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
907 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
908 PK$NUM_PEAK: 5 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
909 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
910 108.055931091309 22471.4453125 0.13 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
911 112.465751647949 20960.951171875 0.12 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
912 128.070281982422 32862.80078125 0.19 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
913 144.766357421875 23252.271484375 0.13 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
914 146.117492675781 17260586 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
915 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
916 RECORD_TITLE: MZ:146.1174 | RT:46.3 | grpid:62 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
917 MS$FOCUSED_ION: PRECURSOR_M/Z 146.117416381836 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
918 AC$CHROMATOGRAPHY: RETENTION_TIME 46.2952926 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
919 XCMS groupid (grpid): 62 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
920 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
921 PK$NUM_PEAK: 5 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
922 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
923 108.055931091309 22471.4453125 0.13 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
924 112.465751647949 20960.951171875 0.12 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
925 128.070281982422 32862.80078125 0.19 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
926 144.766357421875 23252.271484375 0.13 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
927 146.117492675781 17260586 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
928 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
929 RECORD_TITLE: MZ:146.1174 | RT:46.3 | grpid:62 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
930 MS$FOCUSED_ION: PRECURSOR_M/Z 146.117370605469 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
931 AC$CHROMATOGRAPHY: RETENTION_TIME 46.2952926 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
932 XCMS groupid (grpid): 62 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
933 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
934 PK$NUM_PEAK: 9 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
935 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
936 100.021903991699 25367.83984375 9.16 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
937 108.055641174316 3113.50927734375 1.12 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
938 114.566963195801 2266.10009765625 0.82 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
939 115.129852294922 2413.13818359375 0.87 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
940 118.06534576416 21870.080078125 7.89 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
941 130.049789428711 2536.23486328125 0.92 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
942 146.028137207031 3722.75390625 1.34 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
943 146.059906005859 12109.3056640625 4.37 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
944 146.117568969727 277069.8125 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
945 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
946 RECORD_TITLE: MZ:146.1174 | RT:46.3 | grpid:62 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
947 MS$FOCUSED_ION: PRECURSOR_M/Z 146.117370605469 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
948 AC$CHROMATOGRAPHY: RETENTION_TIME 46.2952926 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
949 XCMS groupid (grpid): 62 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
950 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
951 PK$NUM_PEAK: 9 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
952 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
953 100.021903991699 25367.83984375 9.16 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
954 108.055641174316 3113.50927734375 1.12 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
955 114.566963195801 2266.10009765625 0.82 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
956 115.129852294922 2413.13818359375 0.87 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
957 118.06534576416 21870.080078125 7.89 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
958 130.049789428711 2536.23486328125 0.92 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
959 146.028137207031 3722.75390625 1.34 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
960 146.059906005859 12109.3056640625 4.37 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
961 146.117568969727 277069.8125 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
962 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
963 RECORD_TITLE: MZ:147.0438 | RT:70.5 | grpid:63 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
964 MS$FOCUSED_ION: PRECURSOR_M/Z 147.043823242188 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
965 AC$CHROMATOGRAPHY: RETENTION_TIME 70.461672 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
966 XCMS groupid (grpid): 63 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
967 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
968 PK$NUM_PEAK: 11 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
969 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
970 101.071250915527 3223.7529296875 0.09 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
971 102.047164916992 3041.80541992188 0.09 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
972 102.05525970459 4850.5537109375 0.14 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
973 103.054618835449 224978.265625 6.62 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
974 119.049324035645 3398717.25 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
975 123.77320098877 3188.40380859375 0.09 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
976 130.050064086914 63000.25 1.85 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
977 130.086273193359 109294.3984375 3.22 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
978 147.043960571289 952724 28.03 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
979 147.112701416016 13311.6767578125 0.39 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
980 160.07568359375 11708.4287109375 0.34 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
981 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
982 RECORD_TITLE: MZ:147.0438 | RT:70.5 | grpid:63 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
983 MS$FOCUSED_ION: PRECURSOR_M/Z 147.043823242188 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
984 AC$CHROMATOGRAPHY: RETENTION_TIME 70.461672 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
985 XCMS groupid (grpid): 63 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
986 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
987 PK$NUM_PEAK: 11 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
988 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
989 101.071250915527 3223.7529296875 0.09 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
990 102.047164916992 3041.80541992188 0.09 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
991 102.05525970459 4850.5537109375 0.14 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
992 103.054618835449 224978.265625 6.62 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
993 119.049324035645 3398717.25 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
994 123.77320098877 3188.40380859375 0.09 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
995 130.050064086914 63000.25 1.85 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
996 130.086273193359 109294.3984375 3.22 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
997 147.043960571289 952724 28.03 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
998 147.112701416016 13311.6767578125 0.39 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
999 160.07568359375 11708.4287109375 0.34 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1000 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1001 RECORD_TITLE: MZ:147.0439 | RT:70.5 | grpid:63 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1002 MS$FOCUSED_ION: PRECURSOR_M/Z 147.043853759766 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1003 AC$CHROMATOGRAPHY: RETENTION_TIME 70.461672 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1004 XCMS groupid (grpid): 63 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1005 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1006 PK$NUM_PEAK: 13 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1007 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1008 101.071273803711 4550.1181640625 0.14 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1009 103.048835754395 5009.00244140625 0.15 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1010 103.054618835449 202457.375 6.18 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1011 119.049331665039 3278027.5 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1012 120.011581420898 2644.65014648438 0.08 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1013 129.069915771484 3654.64453125 0.11 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1014 130.049911499023 61348.62109375 1.87 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1015 130.086227416992 94937.890625 2.9 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1016 131.550384521484 3396.27563476562 0.1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1017 136.545654296875 2581.0390625 0.08 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1018 147.043960571289 978799.1875 29.86 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1019 147.112838745117 14170.591796875 0.43 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1020 160.075088500977 3768.91259765625 0.11 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1021 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1022 RECORD_TITLE: MZ:147.0439 | RT:70.5 | grpid:63 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1023 MS$FOCUSED_ION: PRECURSOR_M/Z 147.043853759766 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1024 AC$CHROMATOGRAPHY: RETENTION_TIME 70.461672 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1025 XCMS groupid (grpid): 63 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1026 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1027 PK$NUM_PEAK: 13 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1028 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1029 101.071273803711 4550.1181640625 0.14 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1030 103.048835754395 5009.00244140625 0.15 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1031 103.054618835449 202457.375 6.18 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1032 119.049331665039 3278027.5 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1033 120.011581420898 2644.65014648438 0.08 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1034 129.069915771484 3654.64453125 0.11 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1035 130.049911499023 61348.62109375 1.87 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1036 130.086227416992 94937.890625 2.9 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1037 131.550384521484 3396.27563476562 0.1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1038 136.545654296875 2581.0390625 0.08 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1039 147.043960571289 978799.1875 29.86 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1040 147.112838745117 14170.591796875 0.43 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1041 160.075088500977 3768.91259765625 0.11 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1042 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1043 RECORD_TITLE: MZ:147.0438 | RT:70.6 | grpid:63 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1044 MS$FOCUSED_ION: PRECURSOR_M/Z 147.043838500977 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1045 AC$CHROMATOGRAPHY: RETENTION_TIME 70.627524 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1046 XCMS groupid (grpid): 63 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1047 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1048 PK$NUM_PEAK: 15 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1049 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1050 101.071350097656 3549.74267578125 0.12 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1051 103.054641723633 188622.484375 6.21 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1052 112.236755371094 2519.7568359375 0.08 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1053 119.049362182617 3037621.25 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1054 120.011337280273 3365.046875 0.11 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1055 124.979553222656 2343.61987304688 0.08 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1056 129.070343017578 3855.43994140625 0.13 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1057 129.10237121582 3090.92822265625 0.1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1058 130.050094604492 73624.921875 2.42 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1059 130.086318969727 80890.1640625 2.66 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1060 147.044006347656 834451.0625 27.47 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1061 147.079299926758 12881.609375 0.42 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1062 147.112747192383 5908.45263671875 0.19 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1063 152.669158935547 2885.892578125 0.1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1064 160.076049804688 3953.13061523438 0.13 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1065 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1066 RECORD_TITLE: MZ:147.0438 | RT:70.6 | grpid:63 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1067 MS$FOCUSED_ION: PRECURSOR_M/Z 147.043838500977 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1068 AC$CHROMATOGRAPHY: RETENTION_TIME 70.627524 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1069 XCMS groupid (grpid): 63 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1070 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1071 PK$NUM_PEAK: 15 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1072 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1073 101.071350097656 3549.74267578125 0.12 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1074 103.054641723633 188622.484375 6.21 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1075 112.236755371094 2519.7568359375 0.08 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1076 119.049362182617 3037621.25 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1077 120.011337280273 3365.046875 0.11 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1078 124.979553222656 2343.61987304688 0.08 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1079 129.070343017578 3855.43994140625 0.13 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1080 129.10237121582 3090.92822265625 0.1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1081 130.050094604492 73624.921875 2.42 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1082 130.086318969727 80890.1640625 2.66 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1083 147.044006347656 834451.0625 27.47 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1084 147.079299926758 12881.609375 0.42 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1085 147.112747192383 5908.45263671875 0.19 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1086 152.669158935547 2885.892578125 0.1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1087 160.076049804688 3953.13061523438 0.13 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1088 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1089 RECORD_TITLE: MZ:147.0438 | RT:70.6 | grpid:63 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1090 MS$FOCUSED_ION: PRECURSOR_M/Z 147.043838500977 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1091 AC$CHROMATOGRAPHY: RETENTION_TIME 70.627524 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1092 XCMS groupid (grpid): 63 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1093 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1094 PK$NUM_PEAK: 13 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1095 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1096 101.07152557373 2745.65698242188 0.08 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1097 102.055274963379 3918.08203125 0.12 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1098 103.054626464844 219682.390625 6.53 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1099 119.049339294434 3361922.25 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1100 126.545722961426 2381.10522460938 0.07 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1101 129.070129394531 2753.92504882812 0.08 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1102 130.049987792969 71854.2265625 2.14 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1103 130.076995849609 5364.62841796875 0.16 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1104 130.08625793457 95765.5234375 2.85 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1105 147.043991088867 928020.625 27.6 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1106 147.080383300781 14796.041015625 0.44 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1107 147.1123046875 5472.1298828125 0.16 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1108 160.076309204102 3128.19555664062 0.09 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1109 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1110 RECORD_TITLE: MZ:147.0438 | RT:70.6 | grpid:63 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1111 MS$FOCUSED_ION: PRECURSOR_M/Z 147.043838500977 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1112 AC$CHROMATOGRAPHY: RETENTION_TIME 70.627524 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1113 XCMS groupid (grpid): 63 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1114 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1115 PK$NUM_PEAK: 13 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1116 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1117 101.07152557373 2745.65698242188 0.08 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1118 102.055274963379 3918.08203125 0.12 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1119 103.054626464844 219682.390625 6.53 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1120 119.049339294434 3361922.25 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1121 126.545722961426 2381.10522460938 0.07 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1122 129.070129394531 2753.92504882812 0.08 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1123 130.049987792969 71854.2265625 2.14 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1124 130.076995849609 5364.62841796875 0.16 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1125 130.08625793457 95765.5234375 2.85 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1126 147.043991088867 928020.625 27.6 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1127 147.080383300781 14796.041015625 0.44 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1128 147.1123046875 5472.1298828125 0.16 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1129 160.076309204102 3128.19555664062 0.09 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1130 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1131 RECORD_TITLE: MZ:148.0426 | RT:64.4 | grpid:66 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1132 MS$FOCUSED_ION: PRECURSOR_M/Z 148.042587280273 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1133 AC$CHROMATOGRAPHY: RETENTION_TIME 64.427298 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1134 XCMS groupid (grpid): 66 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1135 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1136 PK$NUM_PEAK: 15 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1137 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1138 102.001251220703 418360.65625 27.27 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1139 102.037628173828 26940.125 1.76 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1140 102.055305480957 31787.623046875 2.07 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1141 102.902954101562 2297.19018554688 0.15 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1142 103.082748413086 2655.95483398438 0.17 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1143 120.011619567871 1534089.125 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1144 122.01634979248 2559.43994140625 0.17 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1145 130.050140380859 17183.017578125 1.12 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1146 130.085998535156 4824.86083984375 0.31 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1147 131.052658081055 3329.10791015625 0.22 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1148 131.089935302734 3828.04296875 0.25 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1149 133.019241333008 31002.017578125 2.02 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1150 134.02668762207 3603.13940429688 0.23 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1151 148.042633056641 1333085.75 86.9 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1152 160.701766967773 2493.13793945312 0.16 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1153 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1154 RECORD_TITLE: MZ:148.0426 | RT:64.4 | grpid:66 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1155 MS$FOCUSED_ION: PRECURSOR_M/Z 148.042587280273 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1156 AC$CHROMATOGRAPHY: RETENTION_TIME 64.427298 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1157 XCMS groupid (grpid): 66 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1158 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1159 PK$NUM_PEAK: 15 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1160 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1161 102.001251220703 418360.65625 27.27 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1162 102.037628173828 26940.125 1.76 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1163 102.055305480957 31787.623046875 2.07 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1164 102.902954101562 2297.19018554688 0.15 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1165 103.082748413086 2655.95483398438 0.17 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1166 120.011619567871 1534089.125 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1167 122.01634979248 2559.43994140625 0.17 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1168 130.050140380859 17183.017578125 1.12 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1169 130.085998535156 4824.86083984375 0.31 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1170 131.052658081055 3329.10791015625 0.22 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1171 131.089935302734 3828.04296875 0.25 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1172 133.019241333008 31002.017578125 2.02 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1173 134.02668762207 3603.13940429688 0.23 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1174 148.042633056641 1333085.75 86.9 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1175 160.701766967773 2493.13793945312 0.16 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1176 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1177 RECORD_TITLE: MZ:148.0426 | RT:64.6 | grpid:66 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1178 MS$FOCUSED_ION: PRECURSOR_M/Z 148.042556762695 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1179 AC$CHROMATOGRAPHY: RETENTION_TIME 64.605414 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1180 XCMS groupid (grpid): 66 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1181 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1182 PK$NUM_PEAK: 12 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1183 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1184 102.00122833252 571447.9375 28.8 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1185 102.037757873535 37633.34765625 1.9 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1186 102.055305480957 19940.044921875 1.01 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1187 120.011611938477 1984001.875 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1188 130.050033569336 15060.462890625 0.76 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1189 130.086196899414 5560.50439453125 0.28 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1190 131.053466796875 4939.97802734375 0.25 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1191 131.089218139648 4804.13818359375 0.24 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1192 133.019287109375 34545.609375 1.74 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1193 134.027465820312 5199.03125 0.26 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1194 148.042617797852 1724357.375 86.91 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1195 157.48600769043 2885.98486328125 0.15 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1196 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1197 RECORD_TITLE: MZ:148.0426 | RT:64.6 | grpid:66 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1198 MS$FOCUSED_ION: PRECURSOR_M/Z 148.042556762695 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1199 AC$CHROMATOGRAPHY: RETENTION_TIME 64.605414 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1200 XCMS groupid (grpid): 66 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1201 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1202 PK$NUM_PEAK: 12 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1203 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1204 102.00122833252 571447.9375 28.8 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1205 102.037757873535 37633.34765625 1.9 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1206 102.055305480957 19940.044921875 1.01 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1207 120.011611938477 1984001.875 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1208 130.050033569336 15060.462890625 0.76 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1209 130.086196899414 5560.50439453125 0.28 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1210 131.053466796875 4939.97802734375 0.25 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1211 131.089218139648 4804.13818359375 0.24 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1212 133.019287109375 34545.609375 1.74 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1213 134.027465820312 5199.03125 0.26 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1214 148.042617797852 1724357.375 86.91 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1215 157.48600769043 2885.98486328125 0.15 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1216 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1217 RECORD_TITLE: MZ:149.0263 | RT:91.2 | grpid:67 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1218 MS$FOCUSED_ION: PRECURSOR_M/Z 149.026306152344 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1219 AC$CHROMATOGRAPHY: RETENTION_TIME 91.18956 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1220 XCMS groupid (grpid): 67 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1221 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1222 PK$NUM_PEAK: 22 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1223 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1224 104.016586303711 38437.609375 1.57 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1225 109.031661987305 21351.47265625 0.87 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1226 111.011131286621 2452703.75 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1227 112.343109130859 2894.3193359375 0.12 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1228 113.015518188477 4849.234375 0.2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1229 115.005714416504 3792.97241210938 0.15 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1230 116.98600769043 54908.22265625 2.24 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1231 120.011344909668 270582.1875 11.03 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1232 121.015243530273 3457.28002929688 0.14 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1233 121.028663635254 77434.7109375 3.16 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1234 121.038375854492 5408.986328125 0.22 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1235 125.026588439941 18016.30859375 0.73 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1236 129.021530151367 75003.7578125 3.06 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1237 131.049423217773 11337.5048828125 0.46 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1238 132.047546386719 5366.337890625 0.22 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1239 134.02685546875 160140.59375 6.53 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1240 134.996459960938 50629.9765625 2.06 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1241 140.00178527832 6121.4052734375 0.25 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1242 149.026306152344 1669850.25 68.08 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1243 152.037475585938 25918.962890625 1.06 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1244 153.007186889648 12562.2216796875 0.51 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1245 158.012786865234 17251.59375 0.7 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1246 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1247 RECORD_TITLE: MZ:149.0263 | RT:91.2 | grpid:67 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1248 MS$FOCUSED_ION: PRECURSOR_M/Z 149.026306152344 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1249 AC$CHROMATOGRAPHY: RETENTION_TIME 91.18956 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1250 XCMS groupid (grpid): 67 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1251 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1252 PK$NUM_PEAK: 22 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1253 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1254 104.016586303711 38437.609375 1.57 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1255 109.031661987305 21351.47265625 0.87 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1256 111.011131286621 2452703.75 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1257 112.343109130859 2894.3193359375 0.12 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1258 113.015518188477 4849.234375 0.2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1259 115.005714416504 3792.97241210938 0.15 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1260 116.98600769043 54908.22265625 2.24 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1261 120.011344909668 270582.1875 11.03 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1262 121.015243530273 3457.28002929688 0.14 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1263 121.028663635254 77434.7109375 3.16 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1264 121.038375854492 5408.986328125 0.22 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1265 125.026588439941 18016.30859375 0.73 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1266 129.021530151367 75003.7578125 3.06 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1267 131.049423217773 11337.5048828125 0.46 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1268 132.047546386719 5366.337890625 0.22 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1269 134.02685546875 160140.59375 6.53 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1270 134.996459960938 50629.9765625 2.06 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1271 140.00178527832 6121.4052734375 0.25 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1272 149.026306152344 1669850.25 68.08 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1273 152.037475585938 25918.962890625 1.06 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1274 153.007186889648 12562.2216796875 0.51 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1275 158.012786865234 17251.59375 0.7 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1276 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1277 RECORD_TITLE: MZ:149.0263 | RT:91.4 | grpid:67 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1278 MS$FOCUSED_ION: PRECURSOR_M/Z 149.026321411133 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1279 AC$CHROMATOGRAPHY: RETENTION_TIME 91.376562 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1280 XCMS groupid (grpid): 67 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1281 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1282 PK$NUM_PEAK: 22 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1283 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1284 104.0166015625 32986.94921875 1.39 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1285 109.032051086426 26353.259765625 1.11 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1286 110.097152709961 2624.76928710938 0.11 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1287 111.011177062988 2377988.25 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1288 113.015480041504 5828.708984375 0.25 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1289 116.986236572266 54954.22265625 2.31 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1290 120.01139831543 238866.125 10.04 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1291 121.015419006348 4123.71875 0.17 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1292 121.028648376465 78656.65625 3.31 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1293 121.03840637207 5238.35595703125 0.22 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1294 121.065780639648 3160.08813476562 0.13 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1295 125.026496887207 18683.44921875 0.79 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1296 129.021499633789 78875.828125 3.32 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1297 131.049285888672 3986.47094726562 0.17 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1298 134.026901245117 148034.796875 6.23 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1299 134.996490478516 57903.265625 2.43 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1300 136.622482299805 2669.64990234375 0.11 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1301 140.001846313477 5695.8232421875 0.24 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1302 149.026336669922 1653409.625 69.53 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1303 152.037338256836 21732.1015625 0.91 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1304 153.007202148438 10810.724609375 0.45 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1305 158.012619018555 19154.71875 0.81 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1306 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1307 RECORD_TITLE: MZ:149.0263 | RT:91.4 | grpid:67 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1308 MS$FOCUSED_ION: PRECURSOR_M/Z 149.026321411133 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1309 AC$CHROMATOGRAPHY: RETENTION_TIME 91.376562 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1310 XCMS groupid (grpid): 67 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1311 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1312 PK$NUM_PEAK: 22 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1313 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1314 104.0166015625 32986.94921875 1.39 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1315 109.032051086426 26353.259765625 1.11 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1316 110.097152709961 2624.76928710938 0.11 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1317 111.011177062988 2377988.25 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1318 113.015480041504 5828.708984375 0.25 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1319 116.986236572266 54954.22265625 2.31 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1320 120.01139831543 238866.125 10.04 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1321 121.015419006348 4123.71875 0.17 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1322 121.028648376465 78656.65625 3.31 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1323 121.03840637207 5238.35595703125 0.22 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1324 121.065780639648 3160.08813476562 0.13 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1325 125.026496887207 18683.44921875 0.79 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1326 129.021499633789 78875.828125 3.32 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1327 131.049285888672 3986.47094726562 0.17 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1328 134.026901245117 148034.796875 6.23 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1329 134.996490478516 57903.265625 2.43 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1330 136.622482299805 2669.64990234375 0.11 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1331 140.001846313477 5695.8232421875 0.24 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1332 149.026336669922 1653409.625 69.53 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1333 152.037338256836 21732.1015625 0.91 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1334 153.007202148438 10810.724609375 0.45 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1335 158.012619018555 19154.71875 0.81 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1336 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1337 RECORD_TITLE: MZ:150.0582 | RT:62.9 | grpid:68 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1338 MS$FOCUSED_ION: PRECURSOR_M/Z 150.058166503906 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1339 AC$CHROMATOGRAPHY: RETENTION_TIME 62.924034 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1340 XCMS groupid (grpid): 68 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1341 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1342 PK$NUM_PEAK: 9 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1343 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1344 101.579109191895 20766.212890625 0.15 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1345 102.055404663086 4154222.25 29.71 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1346 104.053276062012 13982832 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1347 105.000991821289 131116.5625 0.94 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1348 105.037223815918 266003.90625 1.9 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1349 133.031875610352 9440187 67.51 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1350 150.038681030273 92384.0703125 0.66 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1351 150.058349609375 1694299.125 12.12 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1352 155.097625732422 22783.2734375 0.16 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1353 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1354 RECORD_TITLE: MZ:150.0582 | RT:62.9 | grpid:68 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1355 MS$FOCUSED_ION: PRECURSOR_M/Z 150.058166503906 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1356 AC$CHROMATOGRAPHY: RETENTION_TIME 62.924034 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1357 XCMS groupid (grpid): 68 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1358 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1359 PK$NUM_PEAK: 9 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1360 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1361 101.579109191895 20766.212890625 0.15 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1362 102.055404663086 4154222.25 29.71 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1363 104.053276062012 13982832 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1364 105.000991821289 131116.5625 0.94 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1365 105.037223815918 266003.90625 1.9 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1366 133.031875610352 9440187 67.51 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1367 150.038681030273 92384.0703125 0.66 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1368 150.058349609375 1694299.125 12.12 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1369 155.097625732422 22783.2734375 0.16 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1370 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1371 RECORD_TITLE: MZ:150.0581 | RT:62.9 | grpid:68 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1372 MS$FOCUSED_ION: PRECURSOR_M/Z 150.058135986328 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1373 AC$CHROMATOGRAPHY: RETENTION_TIME 62.924034 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1374 XCMS groupid (grpid): 68 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1375 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1376 PK$NUM_PEAK: 13 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1377 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1378 102.055458068848 51413.23828125 32.64 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1379 103.99649810791 3555.7119140625 2.26 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1380 104.053283691406 157500.5625 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1381 122.007637023926 16069.3701171875 10.2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1382 122.059936523438 4208.95556640625 2.67 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1383 133.031829833984 106562.1796875 67.66 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1384 143.242492675781 2529.74877929688 1.61 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1385 150.026901245117 18927.78125 12.02 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1386 150.038192749023 13696.380859375 8.7 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1387 150.057998657227 17616.544921875 11.19 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1388 150.09162902832 3476.15454101562 2.21 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1389 150.112930297852 3834.1953125 2.43 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1390 150.127395629883 4024.62670898438 2.56 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1391 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1392 RECORD_TITLE: MZ:150.0581 | RT:62.9 | grpid:68 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1393 MS$FOCUSED_ION: PRECURSOR_M/Z 150.058135986328 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1394 AC$CHROMATOGRAPHY: RETENTION_TIME 62.924034 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1395 XCMS groupid (grpid): 68 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1396 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1397 PK$NUM_PEAK: 13 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1398 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1399 102.055458068848 51413.23828125 32.64 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1400 103.99649810791 3555.7119140625 2.26 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1401 104.053283691406 157500.5625 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1402 122.007637023926 16069.3701171875 10.2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1403 122.059936523438 4208.95556640625 2.67 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1404 133.031829833984 106562.1796875 67.66 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1405 143.242492675781 2529.74877929688 1.61 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1406 150.026901245117 18927.78125 12.02 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1407 150.038192749023 13696.380859375 8.7 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1408 150.057998657227 17616.544921875 11.19 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1409 150.09162902832 3476.15454101562 2.21 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1410 150.112930297852 3834.1953125 2.43 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1411 150.127395629883 4024.62670898438 2.56 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1412 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1413 RECORD_TITLE: MZ:150.0581 | RT:63.1 | grpid:68 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1414 MS$FOCUSED_ION: PRECURSOR_M/Z 150.058135986328 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1415 AC$CHROMATOGRAPHY: RETENTION_TIME 63.078168 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1416 XCMS groupid (grpid): 68 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1417 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1418 PK$NUM_PEAK: 7 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1419 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1420 102.055381774902 4631614.5 28.68 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1421 104.053237915039 16147574 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1422 105.000915527344 196574.15625 1.22 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1423 105.03719329834 273244.0625 1.69 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1424 133.031829833984 10814390 66.97 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1425 137.41633605957 30549.828125 0.19 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1426 150.058288574219 1973325.5 12.22 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1427 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1428 RECORD_TITLE: MZ:150.0581 | RT:63.1 | grpid:68 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1429 MS$FOCUSED_ION: PRECURSOR_M/Z 150.058135986328 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1430 AC$CHROMATOGRAPHY: RETENTION_TIME 63.078168 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1431 XCMS groupid (grpid): 68 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1432 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1433 PK$NUM_PEAK: 7 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1434 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1435 102.055381774902 4631614.5 28.68 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1436 104.053237915039 16147574 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1437 105.000915527344 196574.15625 1.22 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1438 105.03719329834 273244.0625 1.69 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1439 133.031829833984 10814390 66.97 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1440 137.41633605957 30549.828125 0.19 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1441 150.058288574219 1973325.5 12.22 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1442 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1443 RECORD_TITLE: MZ:150.0581 | RT:63.1 | grpid:68 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1444 MS$FOCUSED_ION: PRECURSOR_M/Z 150.05810546875 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1445 AC$CHROMATOGRAPHY: RETENTION_TIME 63.078168 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1446 XCMS groupid (grpid): 68 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1447 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1448 PK$NUM_PEAK: 15 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1449 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1450 102.055404663086 43694.5078125 32.97 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1451 103.997314453125 2148.16162109375 1.62 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1452 104.05322265625 132526.8125 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1453 106.336433410645 2694.6591796875 2.03 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1454 115.794555664062 2042.23522949219 1.54 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1455 117.98902130127 2109.99584960938 1.59 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1456 122.007164001465 12221.623046875 9.22 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1457 124.446136474609 1894.35131835938 1.43 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1458 133.031921386719 76296.8203125 57.57 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1459 150.027542114258 16453.501953125 12.42 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1460 150.038208007812 13264.7509765625 10.01 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1461 150.057830810547 14816.9990234375 11.18 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1462 150.090744018555 4340.6669921875 3.28 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1463 150.112060546875 5071.3125 3.83 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1464 150.128646850586 2830.20849609375 2.14 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1465 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1466 RECORD_TITLE: MZ:150.0581 | RT:63.1 | grpid:68 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1467 MS$FOCUSED_ION: PRECURSOR_M/Z 150.05810546875 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1468 AC$CHROMATOGRAPHY: RETENTION_TIME 63.078168 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1469 XCMS groupid (grpid): 68 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1470 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1471 PK$NUM_PEAK: 15 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1472 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1473 102.055404663086 43694.5078125 32.97 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1474 103.997314453125 2148.16162109375 1.62 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1475 104.05322265625 132526.8125 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1476 106.336433410645 2694.6591796875 2.03 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1477 115.794555664062 2042.23522949219 1.54 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1478 117.98902130127 2109.99584960938 1.59 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1479 122.007164001465 12221.623046875 9.22 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1480 124.446136474609 1894.35131835938 1.43 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1481 133.031921386719 76296.8203125 57.57 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1482 150.027542114258 16453.501953125 12.42 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1483 150.038208007812 13264.7509765625 10.01 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1484 150.057830810547 14816.9990234375 11.18 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1485 150.090744018555 4340.6669921875 3.28 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1486 150.112060546875 5071.3125 3.83 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1487 150.128646850586 2830.20849609375 2.14 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1488 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1489 RECORD_TITLE: MZ:153.0405 | RT:84.2 | grpid:72 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1490 MS$FOCUSED_ION: PRECURSOR_M/Z 153.040512084961 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1491 AC$CHROMATOGRAPHY: RETENTION_TIME 84.215802 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1492 XCMS groupid (grpid): 72 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1493 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1494 PK$NUM_PEAK: 10 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1495 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1496 108.01936340332 17292.517578125 0.21 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1497 110.035232543945 2303313 28.45 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1498 121.812217712402 11519.919921875 0.14 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1499 128.04557800293 428744.46875 5.29 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1500 135.030151367188 79630.6875 0.98 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1501 135.805206298828 11823.5634765625 0.15 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1502 136.01416015625 3711513 45.84 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1503 153.040679931641 8097173.5 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1504 154.024642944336 3409293.75 42.1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1505 168.04069519043 26535.353515625 0.33 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1506 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1507 RECORD_TITLE: MZ:153.0405 | RT:84.2 | grpid:72 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1508 MS$FOCUSED_ION: PRECURSOR_M/Z 153.040512084961 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1509 AC$CHROMATOGRAPHY: RETENTION_TIME 84.215802 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1510 XCMS groupid (grpid): 72 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1511 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1512 PK$NUM_PEAK: 10 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1513 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1514 108.01936340332 17292.517578125 0.21 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1515 110.035232543945 2303313 28.45 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1516 121.812217712402 11519.919921875 0.14 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1517 128.04557800293 428744.46875 5.29 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1518 135.030151367188 79630.6875 0.98 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1519 135.805206298828 11823.5634765625 0.15 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1520 136.01416015625 3711513 45.84 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1521 153.040679931641 8097173.5 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1522 154.024642944336 3409293.75 42.1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1523 168.04069519043 26535.353515625 0.33 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1524 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1525 RECORD_TITLE: MZ:153.0403 | RT:84.2 | grpid:72 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1526 MS$FOCUSED_ION: PRECURSOR_M/Z 153.040344238281 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1527 AC$CHROMATOGRAPHY: RETENTION_TIME 84.215802 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1528 XCMS groupid (grpid): 72 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1529 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1530 PK$NUM_PEAK: 27 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1531 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1532 100.120269775391 2219.037109375 0.27 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1533 107.085754394531 12394.3017578125 1.52 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1534 108.443885803223 2329.408203125 0.29 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1535 109.10099029541 3362.6435546875 0.41 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1536 110.035278320312 214885.25 26.29 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1537 111.044418334961 11947.40625 1.46 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1538 111.080368041992 2874.97290039062 0.35 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1539 113.00806427002 19917.9453125 2.44 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1540 114.882606506348 2383.2900390625 0.29 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1541 115.012451171875 20400.2109375 2.5 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1542 116.986083984375 5402.39453125 0.66 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1543 125.071716308594 3712.6376953125 0.45 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1544 128.045806884766 42805.9140625 5.24 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1545 134.996383666992 5005.0556640625 0.61 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1546 135.030487060547 3801.03735351562 0.47 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1547 135.080642700195 3373.82641601562 0.41 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1548 135.117233276367 3593.927734375 0.44 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1549 136.014221191406 296738.09375 36.31 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1550 137.058334350586 2331.7724609375 0.29 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1551 140.413299560547 2165.29467773438 0.26 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1552 146.555084228516 2194.45166015625 0.27 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1553 148.740234375 2312.7158203125 0.28 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1554 153.040740966797 817318.25 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1555 153.090744018555 15144.04296875 1.85 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1556 153.127243041992 12641.9697265625 1.55 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1557 154.02473449707 408579.875 49.99 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1558 158.011642456055 3504.88745117188 0.43 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1559 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1560 RECORD_TITLE: MZ:153.0403 | RT:84.2 | grpid:72 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1561 MS$FOCUSED_ION: PRECURSOR_M/Z 153.040344238281 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1562 AC$CHROMATOGRAPHY: RETENTION_TIME 84.215802 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1563 XCMS groupid (grpid): 72 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1564 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1565 PK$NUM_PEAK: 27 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1566 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1567 100.120269775391 2219.037109375 0.27 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1568 107.085754394531 12394.3017578125 1.52 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1569 108.443885803223 2329.408203125 0.29 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1570 109.10099029541 3362.6435546875 0.41 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1571 110.035278320312 214885.25 26.29 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1572 111.044418334961 11947.40625 1.46 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1573 111.080368041992 2874.97290039062 0.35 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1574 113.00806427002 19917.9453125 2.44 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1575 114.882606506348 2383.2900390625 0.29 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1576 115.012451171875 20400.2109375 2.5 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1577 116.986083984375 5402.39453125 0.66 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1578 125.071716308594 3712.6376953125 0.45 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1579 128.045806884766 42805.9140625 5.24 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1580 134.996383666992 5005.0556640625 0.61 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1581 135.030487060547 3801.03735351562 0.47 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1582 135.080642700195 3373.82641601562 0.41 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1583 135.117233276367 3593.927734375 0.44 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1584 136.014221191406 296738.09375 36.31 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1585 137.058334350586 2331.7724609375 0.29 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1586 140.413299560547 2165.29467773438 0.26 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1587 146.555084228516 2194.45166015625 0.27 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1588 148.740234375 2312.7158203125 0.28 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1589 153.040740966797 817318.25 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1590 153.090744018555 15144.04296875 1.85 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1591 153.127243041992 12641.9697265625 1.55 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1592 154.02473449707 408579.875 49.99 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1593 158.011642456055 3504.88745117188 0.43 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1594 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1595 RECORD_TITLE: MZ:153.0405 | RT:84.4 | grpid:72 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1596 MS$FOCUSED_ION: PRECURSOR_M/Z 153.040512084961 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1597 AC$CHROMATOGRAPHY: RETENTION_TIME 84.41529 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1598 XCMS groupid (grpid): 72 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1599 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1600 PK$NUM_PEAK: 11 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1601 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1602 108.019828796387 20524.515625 0.24 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1603 110.035209655762 2289391.25 27.32 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1604 112.017875671387 11479.5869140625 0.14 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1605 122.45817565918 9276.744140625 0.11 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1606 128.04557800293 406314.03125 4.85 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1607 135.030151367188 62872.70703125 0.75 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1608 136.014144897461 3604566 43.01 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1609 153.040664672852 8379958 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1610 154.024627685547 3294023.75 39.31 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1611 168.039398193359 17989.896484375 0.21 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1612 168.052719116211 10959.2880859375 0.13 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1613 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1614 RECORD_TITLE: MZ:153.0405 | RT:84.4 | grpid:72 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1615 MS$FOCUSED_ION: PRECURSOR_M/Z 153.040512084961 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1616 AC$CHROMATOGRAPHY: RETENTION_TIME 84.41529 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1617 XCMS groupid (grpid): 72 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1618 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1619 PK$NUM_PEAK: 11 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1620 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1621 108.019828796387 20524.515625 0.24 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1622 110.035209655762 2289391.25 27.32 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1623 112.017875671387 11479.5869140625 0.14 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1624 122.45817565918 9276.744140625 0.11 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1625 128.04557800293 406314.03125 4.85 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1626 135.030151367188 62872.70703125 0.75 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1627 136.014144897461 3604566 43.01 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1628 153.040664672852 8379958 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1629 154.024627685547 3294023.75 39.31 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1630 168.039398193359 17989.896484375 0.21 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1631 168.052719116211 10959.2880859375 0.13 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1632 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1633 RECORD_TITLE: MZ:153.0404 | RT:84.4 | grpid:72 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1634 MS$FOCUSED_ION: PRECURSOR_M/Z 153.04035949707 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1635 AC$CHROMATOGRAPHY: RETENTION_TIME 84.41529 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1636 XCMS groupid (grpid): 72 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1637 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1638 PK$NUM_PEAK: 20 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1639 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1640 107.049018859863 2999.64233398438 0.2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1641 107.085746765137 4260.4228515625 0.29 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1642 108.01944732666 4910.62548828125 0.34 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1643 109.430320739746 2957.02856445312 0.2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1644 110.035255432129 374273.03125 25.53 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1645 113.007835388184 20101.728515625 1.37 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1646 113.014839172363 4319.23388671875 0.29 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1647 115.012069702148 23304.08984375 1.59 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1648 116.986114501953 4830.94970703125 0.33 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1649 125.06031036377 3577.85107421875 0.24 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1650 128.045501708984 72506.0546875 4.95 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1651 134.996337890625 6738.5830078125 0.46 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1652 135.030303955078 5151.421875 0.35 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1653 136.014190673828 548141.125 37.4 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1654 152.786178588867 3086.82641601562 0.21 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1655 153.040725708008 1465771 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1656 153.090713500977 17066.05078125 1.16 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1657 153.127578735352 17128.626953125 1.17 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1658 154.024673461914 665563 45.41 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1659 165.999542236328 3401.4443359375 0.23 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1660 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1661 RECORD_TITLE: MZ:153.0404 | RT:84.4 | grpid:72 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1662 MS$FOCUSED_ION: PRECURSOR_M/Z 153.04035949707 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1663 AC$CHROMATOGRAPHY: RETENTION_TIME 84.41529 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1664 XCMS groupid (grpid): 72 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1665 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1666 PK$NUM_PEAK: 20 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1667 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1668 107.049018859863 2999.64233398438 0.2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1669 107.085746765137 4260.4228515625 0.29 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1670 108.01944732666 4910.62548828125 0.34 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1671 109.430320739746 2957.02856445312 0.2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1672 110.035255432129 374273.03125 25.53 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1673 113.007835388184 20101.728515625 1.37 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1674 113.014839172363 4319.23388671875 0.29 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1675 115.012069702148 23304.08984375 1.59 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1676 116.986114501953 4830.94970703125 0.33 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1677 125.06031036377 3577.85107421875 0.24 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1678 128.045501708984 72506.0546875 4.95 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1679 134.996337890625 6738.5830078125 0.46 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1680 135.030303955078 5151.421875 0.35 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1681 136.014190673828 548141.125 37.4 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1682 152.786178588867 3086.82641601562 0.21 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1683 153.040725708008 1465771 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1684 153.090713500977 17066.05078125 1.16 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1685 153.127578735352 17128.626953125 1.17 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1686 154.024673461914 665563 45.41 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1687 165.999542236328 3401.4443359375 0.23 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1688 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1689 RECORD_TITLE: MZ:153.0406 | RT:84.4 | grpid:72 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1690 MS$FOCUSED_ION: PRECURSOR_M/Z 153.040557861328 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1691 AC$CHROMATOGRAPHY: RETENTION_TIME 84.41529 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1692 XCMS groupid (grpid): 72 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1693 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1694 PK$NUM_PEAK: 21 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1695 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1696 107.085655212402 9505.548828125 0.42 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1697 108.019424438477 4591.0361328125 0.2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1698 109.101692199707 3338.82177734375 0.15 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1699 110.035224914551 821798 36.3 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1700 111.044441223145 10343.86328125 0.46 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1701 111.08065032959 2604.8134765625 0.12 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1702 116.986167907715 12888.4609375 0.57 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1703 125.060432434082 4316.95849609375 0.19 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1704 125.096267700195 3239.39892578125 0.14 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1705 128.045593261719 186179.359375 8.22 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1706 134.99641418457 15461.853515625 0.68 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1707 135.029998779297 10761.2744140625 0.48 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1708 135.080139160156 5717.2587890625 0.25 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1709 135.116653442383 4035.61694335938 0.18 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1710 136.01416015625 410688.09375 18.14 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1711 140.001937866211 2646.69165039062 0.12 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1712 143.464538574219 2587.640625 0.11 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1713 152.571792602539 2826.95971679688 0.12 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1714 153.04069519043 2264089.75 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1715 153.127258300781 6322.94384765625 0.28 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1716 154.024642944336 1115687.625 49.28 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1717 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1718 RECORD_TITLE: MZ:153.0406 | RT:84.4 | grpid:72 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1719 MS$FOCUSED_ION: PRECURSOR_M/Z 153.040557861328 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1720 AC$CHROMATOGRAPHY: RETENTION_TIME 84.41529 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1721 XCMS groupid (grpid): 72 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1722 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1723 PK$NUM_PEAK: 21 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1724 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1725 107.085655212402 9505.548828125 0.42 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1726 108.019424438477 4591.0361328125 0.2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1727 109.101692199707 3338.82177734375 0.15 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1728 110.035224914551 821798 36.3 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1729 111.044441223145 10343.86328125 0.46 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1730 111.08065032959 2604.8134765625 0.12 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1731 116.986167907715 12888.4609375 0.57 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1732 125.060432434082 4316.95849609375 0.19 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1733 125.096267700195 3239.39892578125 0.14 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1734 128.045593261719 186179.359375 8.22 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1735 134.99641418457 15461.853515625 0.68 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1736 135.029998779297 10761.2744140625 0.48 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1737 135.080139160156 5717.2587890625 0.25 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1738 135.116653442383 4035.61694335938 0.18 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1739 136.01416015625 410688.09375 18.14 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1740 140.001937866211 2646.69165039062 0.12 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1741 143.464538574219 2587.640625 0.11 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1742 152.571792602539 2826.95971679688 0.12 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1743 153.04069519043 2264089.75 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1744 153.127258300781 6322.94384765625 0.28 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1745 154.024642944336 1115687.625 49.28 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1746 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1747 RECORD_TITLE: MZ:156.0767 | RT:47.7 | grpid:75 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1748 MS$FOCUSED_ION: PRECURSOR_M/Z 156.076675415039 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1749 AC$CHROMATOGRAPHY: RETENTION_TIME 47.662548 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1750 XCMS groupid (grpid): 75 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1751 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1752 PK$NUM_PEAK: 11 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1753 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1754 110.07160949707 359536.25 22.82 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1755 111.068382263184 255573.8125 16.22 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1756 111.074981689453 1575368.5 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1757 112.058601379395 5586.78466796875 0.35 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1758 112.087120056152 11232.6259765625 0.71 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1759 124.93775177002 5698.17578125 0.36 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1760 130.062942504883 3413.16528320312 0.22 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1761 131.066284179688 24558.26171875 1.56 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1762 139.111953735352 3450.27368164062 0.22 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1763 157.045669555664 163497.828125 10.38 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1764 157.080718994141 271646.8125 17.24 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1765 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1766 RECORD_TITLE: MZ:156.0767 | RT:47.7 | grpid:75 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1767 MS$FOCUSED_ION: PRECURSOR_M/Z 156.076675415039 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1768 AC$CHROMATOGRAPHY: RETENTION_TIME 47.662548 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1769 XCMS groupid (grpid): 75 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1770 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1771 PK$NUM_PEAK: 11 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1772 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1773 110.07160949707 359536.25 22.82 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1774 111.068382263184 255573.8125 16.22 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1775 111.074981689453 1575368.5 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1776 112.058601379395 5586.78466796875 0.35 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1777 112.087120056152 11232.6259765625 0.71 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1778 124.93775177002 5698.17578125 0.36 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1779 130.062942504883 3413.16528320312 0.22 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1780 131.066284179688 24558.26171875 1.56 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1781 139.111953735352 3450.27368164062 0.22 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1782 157.045669555664 163497.828125 10.38 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1783 157.080718994141 271646.8125 17.24 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1784 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1785 RECORD_TITLE: MZ:156.0767 | RT:47.7 | grpid:75 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1786 MS$FOCUSED_ION: PRECURSOR_M/Z 156.076675415039 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1787 AC$CHROMATOGRAPHY: RETENTION_TIME 47.662548 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1788 XCMS groupid (grpid): 75 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1789 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1790 PK$NUM_PEAK: 8 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1791 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1792 110.071533203125 31565072 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1793 111.05542755127 171552.796875 0.54 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1794 112.052299499512 48860.02734375 0.15 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1795 130.062973022461 421869.625 1.34 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1796 138.065444946289 38444.44140625 0.12 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1797 139.050430297852 42066.9921875 0.13 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1798 156.042053222656 2798386.5 8.87 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1799 156.076690673828 4465763 14.15 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1800 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1801 RECORD_TITLE: MZ:156.0767 | RT:47.7 | grpid:75 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1802 MS$FOCUSED_ION: PRECURSOR_M/Z 156.076675415039 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1803 AC$CHROMATOGRAPHY: RETENTION_TIME 47.662548 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1804 XCMS groupid (grpid): 75 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1805 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1806 PK$NUM_PEAK: 8 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1807 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1808 110.071533203125 31565072 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1809 111.05542755127 171552.796875 0.54 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1810 112.052299499512 48860.02734375 0.15 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1811 130.062973022461 421869.625 1.34 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1812 138.065444946289 38444.44140625 0.12 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1813 139.050430297852 42066.9921875 0.13 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1814 156.042053222656 2798386.5 8.87 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1815 156.076690673828 4465763 14.15 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1816 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1817 RECORD_TITLE: MZ:156.0766 | RT:47.7 | grpid:75 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1818 MS$FOCUSED_ION: PRECURSOR_M/Z 156.076614379883 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1819 AC$CHROMATOGRAPHY: RETENTION_TIME 47.662548 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1820 XCMS groupid (grpid): 75 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1821 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1822 PK$NUM_PEAK: 12 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1823 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1824 110.071617126465 103266.5625 22.61 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1825 111.068412780762 74264.7734375 16.26 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1826 111.074989318848 456690.28125 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1827 122.022483825684 2308.142578125 0.51 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1828 123.269805908203 2085.65356445312 0.46 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1829 128.039825439453 2470.4228515625 0.54 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1830 129.102127075195 13885.6689453125 3.04 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1831 139.111801147461 3046.76831054688 0.67 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1832 157.080810546875 81711.703125 17.89 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1833 157.095642089844 4108.2177734375 0.9 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1834 157.09797668457 3605.6943359375 0.79 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1835 164.743133544922 2175.7744140625 0.48 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1836 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1837 RECORD_TITLE: MZ:156.0766 | RT:47.7 | grpid:75 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1838 MS$FOCUSED_ION: PRECURSOR_M/Z 156.076614379883 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1839 AC$CHROMATOGRAPHY: RETENTION_TIME 47.662548 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1840 XCMS groupid (grpid): 75 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1841 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1842 PK$NUM_PEAK: 12 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1843 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1844 110.071617126465 103266.5625 22.61 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1845 111.068412780762 74264.7734375 16.26 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1846 111.074989318848 456690.28125 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1847 122.022483825684 2308.142578125 0.51 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1848 123.269805908203 2085.65356445312 0.46 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1849 128.039825439453 2470.4228515625 0.54 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1850 129.102127075195 13885.6689453125 3.04 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1851 139.111801147461 3046.76831054688 0.67 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1852 157.080810546875 81711.703125 17.89 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1853 157.095642089844 4108.2177734375 0.9 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1854 157.09797668457 3605.6943359375 0.79 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1855 164.743133544922 2175.7744140625 0.48 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1856 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1857 RECORD_TITLE: MZ:156.0766 | RT:47.7 | grpid:75 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1858 MS$FOCUSED_ION: PRECURSOR_M/Z 156.076599121094 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1859 AC$CHROMATOGRAPHY: RETENTION_TIME 47.662548 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1860 XCMS groupid (grpid): 75 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1861 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1862 PK$NUM_PEAK: 13 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1863 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1864 105.050170898438 2555.24609375 1.03 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1865 108.688468933105 2078.55712890625 0.83 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1866 109.076301574707 5360.916015625 2.15 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1867 110.071685791016 57176.09765625 22.96 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1868 111.06844329834 42945.76171875 17.24 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1869 111.075035095215 249064.21875 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1870 111.116966247559 3476.44995117188 1.4 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1871 139.086654663086 22547.79296875 9.05 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1872 139.111251831055 3504.47900390625 1.41 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1873 157.061416625977 2445.43505859375 0.98 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1874 157.080352783203 47631.3203125 19.12 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1875 157.097396850586 13967.23046875 5.61 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1876 174.818969726562 2215.97583007812 0.89 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1877 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1878 RECORD_TITLE: MZ:156.0766 | RT:47.7 | grpid:75 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1879 MS$FOCUSED_ION: PRECURSOR_M/Z 156.076599121094 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1880 AC$CHROMATOGRAPHY: RETENTION_TIME 47.662548 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1881 XCMS groupid (grpid): 75 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1882 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1883 PK$NUM_PEAK: 13 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1884 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1885 105.050170898438 2555.24609375 1.03 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1886 108.688468933105 2078.55712890625 0.83 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1887 109.076301574707 5360.916015625 2.15 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1888 110.071685791016 57176.09765625 22.96 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1889 111.06844329834 42945.76171875 17.24 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1890 111.075035095215 249064.21875 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1891 111.116966247559 3476.44995117188 1.4 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1892 139.086654663086 22547.79296875 9.05 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1893 139.111251831055 3504.47900390625 1.41 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1894 157.061416625977 2445.43505859375 0.98 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1895 157.080352783203 47631.3203125 19.12 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1896 157.097396850586 13967.23046875 5.61 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1897 174.818969726562 2215.97583007812 0.89 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1898 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1899 RECORD_TITLE: MZ:156.0767 | RT:48.6 | grpid:75 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1900 MS$FOCUSED_ION: PRECURSOR_M/Z 156.076690673828 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1901 AC$CHROMATOGRAPHY: RETENTION_TIME 48.5632728 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1902 XCMS groupid (grpid): 75 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1903 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1904 PK$NUM_PEAK: 11 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1905 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1906 110.071617126465 361957.15625 21.9 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1907 111.068450927734 254450.640625 15.39 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1908 111.074996948242 1653108.625 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1909 112.058860778809 10019.439453125 0.61 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1910 112.086982727051 10338.4228515625 0.63 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1911 115.086982727051 4948.2099609375 0.3 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1912 124.937767028809 5702.1201171875 0.34 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1913 131.066818237305 17443.58203125 1.06 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1914 157.027359008789 2748.53442382812 0.17 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1915 157.045822143555 162176.234375 9.81 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1916 157.080718994141 300890.78125 18.2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1917 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1918 RECORD_TITLE: MZ:156.0767 | RT:48.6 | grpid:75 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1919 MS$FOCUSED_ION: PRECURSOR_M/Z 156.076690673828 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1920 AC$CHROMATOGRAPHY: RETENTION_TIME 48.5632728 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1921 XCMS groupid (grpid): 75 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1922 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1923 PK$NUM_PEAK: 11 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1924 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1925 110.071617126465 361957.15625 21.9 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1926 111.068450927734 254450.640625 15.39 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1927 111.074996948242 1653108.625 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1928 112.058860778809 10019.439453125 0.61 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1929 112.086982727051 10338.4228515625 0.63 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1930 115.086982727051 4948.2099609375 0.3 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1931 124.937767028809 5702.1201171875 0.34 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1932 131.066818237305 17443.58203125 1.06 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1933 157.027359008789 2748.53442382812 0.17 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1934 157.045822143555 162176.234375 9.81 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1935 157.080718994141 300890.78125 18.2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
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changeset
|
1936 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1937 RECORD_TITLE: MZ:156.0767 | RT:48.6 | grpid:75 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1938 MS$FOCUSED_ION: PRECURSOR_M/Z 156.076675415039 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1939 AC$CHROMATOGRAPHY: RETENTION_TIME 48.5632728 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1940 XCMS groupid (grpid): 75 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1941 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1942 PK$NUM_PEAK: 8 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1943 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1944 110.071563720703 33750932 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1945 111.055366516113 157039.265625 0.47 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1946 112.052490234375 30169.251953125 0.09 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1947 130.063003540039 383175.625 1.14 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1948 138.065872192383 63303.015625 0.19 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1949 139.049819946289 71545.4921875 0.21 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1950 156.042083740234 2323007.5 6.88 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1951 156.076721191406 4835160 14.33 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1952 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1953 RECORD_TITLE: MZ:156.0767 | RT:48.6 | grpid:75 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1954 MS$FOCUSED_ION: PRECURSOR_M/Z 156.076675415039 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1955 AC$CHROMATOGRAPHY: RETENTION_TIME 48.5632728 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1956 XCMS groupid (grpid): 75 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1957 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1958 PK$NUM_PEAK: 8 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1959 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1960 110.071563720703 33750932 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1961 111.055366516113 157039.265625 0.47 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1962 112.052490234375 30169.251953125 0.09 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1963 130.063003540039 383175.625 1.14 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1964 138.065872192383 63303.015625 0.19 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1965 139.049819946289 71545.4921875 0.21 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1966 156.042083740234 2323007.5 6.88 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1967 156.076721191406 4835160 14.33 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1968 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1969 RECORD_TITLE: MZ:156.0766 | RT:48.6 | grpid:75 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1970 MS$FOCUSED_ION: PRECURSOR_M/Z 156.076644897461 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1971 AC$CHROMATOGRAPHY: RETENTION_TIME 48.5632728 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1972 XCMS groupid (grpid): 75 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1973 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1974 PK$NUM_PEAK: 13 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1975 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1976 110.071655273438 108305.28125 21.97 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1977 111.068428039551 76372.7890625 15.49 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1978 111.075019836426 493008.875 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1979 121.101486206055 3041.99633789062 0.62 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1980 128.92985534668 2140.91772460938 0.43 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1981 129.102325439453 10940.189453125 2.22 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1982 132.121475219727 2264.94140625 0.46 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1983 139.086730957031 2482.73779296875 0.5 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1984 150.740234375 2529.83618164062 0.51 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1985 157.044326782227 3592.15795898438 0.73 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1986 157.08088684082 79274.4609375 16.08 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1987 157.120971679688 2555.38037109375 0.52 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1988 163.923477172852 2484.58447265625 0.5 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1989 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1990 RECORD_TITLE: MZ:156.0766 | RT:48.6 | grpid:75 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1991 MS$FOCUSED_ION: PRECURSOR_M/Z 156.076644897461 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1992 AC$CHROMATOGRAPHY: RETENTION_TIME 48.5632728 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1993 XCMS groupid (grpid): 75 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1994 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1995 PK$NUM_PEAK: 13 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1996 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1997 110.071655273438 108305.28125 21.97 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1998 111.068428039551 76372.7890625 15.49 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1999 111.075019836426 493008.875 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2000 121.101486206055 3041.99633789062 0.62 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2001 128.92985534668 2140.91772460938 0.43 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2002 129.102325439453 10940.189453125 2.22 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2003 132.121475219727 2264.94140625 0.46 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2004 139.086730957031 2482.73779296875 0.5 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2005 150.740234375 2529.83618164062 0.51 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2006 157.044326782227 3592.15795898438 0.73 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2007 157.08088684082 79274.4609375 16.08 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2008 157.120971679688 2555.38037109375 0.52 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2009 163.923477172852 2484.58447265625 0.5 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2010 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2011 RECORD_TITLE: MZ:156.0766 | RT:48.6 | grpid:75 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2012 MS$FOCUSED_ION: PRECURSOR_M/Z 156.076553344727 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2013 AC$CHROMATOGRAPHY: RETENTION_TIME 48.5632728 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2014 XCMS groupid (grpid): 75 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2015 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2016 PK$NUM_PEAK: 16 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2017 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2018 107.847686767578 2009.65563964844 0.82 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2019 109.076316833496 5142.29443359375 2.1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2020 109.354393005371 2353.12231445312 0.96 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2021 110.071655273438 53518.078125 21.87 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2022 111.068435668945 36084.25390625 14.74 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2023 111.075004577637 244749.578125 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2024 111.746681213379 2220.93774414062 0.91 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2025 121.101303100586 2117.04711914062 0.86 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2026 132.705078125 1994.12268066406 0.81 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2027 139.076629638672 2329.56298828125 0.95 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2028 139.086441040039 20191.62109375 8.25 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2029 157.04264831543 2523.53955078125 1.03 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2030 157.061660766602 2687.189453125 1.1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2031 157.080337524414 41752.5234375 17.06 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2032 157.097229003906 13970.564453125 5.71 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2033 175.968795776367 2350.83203125 0.96 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2034 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2035 RECORD_TITLE: MZ:156.0766 | RT:48.6 | grpid:75 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2036 MS$FOCUSED_ION: PRECURSOR_M/Z 156.076553344727 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2037 AC$CHROMATOGRAPHY: RETENTION_TIME 48.5632728 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2038 XCMS groupid (grpid): 75 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2039 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2040 PK$NUM_PEAK: 16 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2041 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2042 107.847686767578 2009.65563964844 0.82 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2043 109.076316833496 5142.29443359375 2.1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2044 109.354393005371 2353.12231445312 0.96 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2045 110.071655273438 53518.078125 21.87 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2046 111.068435668945 36084.25390625 14.74 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2047 111.075004577637 244749.578125 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2048 111.746681213379 2220.93774414062 0.91 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2049 121.101303100586 2117.04711914062 0.86 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2050 132.705078125 1994.12268066406 0.81 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2051 139.076629638672 2329.56298828125 0.95 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2052 139.086441040039 20191.62109375 8.25 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2053 157.04264831543 2523.53955078125 1.03 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2054 157.061660766602 2687.189453125 1.1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2055 157.080337524414 41752.5234375 17.06 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2056 157.097229003906 13970.564453125 5.71 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2057 175.968795776367 2350.83203125 0.96 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2058 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2059 RECORD_TITLE: MZ:158.0924 | RT:43.9 | grpid:77 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2060 MS$FOCUSED_ION: PRECURSOR_M/Z 158.092361450195 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2061 AC$CHROMATOGRAPHY: RETENTION_TIME 43.9150368 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2062 XCMS groupid (grpid): 77 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2063 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2064 PK$NUM_PEAK: 11 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2065 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2066 102.091850280762 34783.19921875 10.7 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2067 107.244758605957 2121.91967773438 0.65 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2068 110.07160949707 3791.80151367188 1.17 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2069 112.087249755859 158544.46875 48.75 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2070 113.071388244629 4898.7001953125 1.51 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2071 115.08674621582 2881.50634765625 0.89 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2072 116.07105255127 45644.90234375 14.04 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2073 141.065841674805 12014.9599609375 3.69 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2074 158.092422485352 325199.53125 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2075 158.153823852539 69871.78125 21.49 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2076 159.077056884766 3031.5615234375 0.93 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2077 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2078 RECORD_TITLE: MZ:158.0924 | RT:43.9 | grpid:77 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2079 MS$FOCUSED_ION: PRECURSOR_M/Z 158.092361450195 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2080 AC$CHROMATOGRAPHY: RETENTION_TIME 43.9150368 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2081 XCMS groupid (grpid): 77 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2082 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2083 PK$NUM_PEAK: 11 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2084 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2085 102.091850280762 34783.19921875 10.7 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2086 107.244758605957 2121.91967773438 0.65 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2087 110.07160949707 3791.80151367188 1.17 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2088 112.087249755859 158544.46875 48.75 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2089 113.071388244629 4898.7001953125 1.51 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2090 115.08674621582 2881.50634765625 0.89 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2091 116.07105255127 45644.90234375 14.04 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2092 141.065841674805 12014.9599609375 3.69 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2093 158.092422485352 325199.53125 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2094 158.153823852539 69871.78125 21.49 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2095 159.077056884766 3031.5615234375 0.93 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2096 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2097 RECORD_TITLE: MZ:158.0924 | RT:44.1 | grpid:77 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2098 MS$FOCUSED_ION: PRECURSOR_M/Z 158.092376708984 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2099 AC$CHROMATOGRAPHY: RETENTION_TIME 44.0806488 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2100 XCMS groupid (grpid): 77 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2101 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2102 PK$NUM_PEAK: 13 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2103 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2104 102.091728210449 38012.30078125 14 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2105 110.071365356445 5420.17724609375 2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2106 112.079177856445 4014.5673828125 1.48 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2107 112.087257385254 113204.078125 41.71 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2108 116.070816040039 34744.171875 12.8 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2109 131.929992675781 2230.50756835938 0.82 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2110 141.065704345703 4895.40673828125 1.8 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2111 154.506774902344 2119.57861328125 0.78 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2112 158.092391967773 271429.09375 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2113 158.154037475586 81701.859375 30.1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2114 158.583435058594 2426.4375 0.89 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2115 159.076904296875 3193.85131835938 1.18 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2116 159.090621948242 2369.67138671875 0.87 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2117 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2118 RECORD_TITLE: MZ:158.0924 | RT:44.1 | grpid:77 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2119 MS$FOCUSED_ION: PRECURSOR_M/Z 158.092376708984 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2120 AC$CHROMATOGRAPHY: RETENTION_TIME 44.0806488 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2121 XCMS groupid (grpid): 77 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2122 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2123 PK$NUM_PEAK: 13 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2124 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2125 102.091728210449 38012.30078125 14 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2126 110.071365356445 5420.17724609375 2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2127 112.079177856445 4014.5673828125 1.48 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2128 112.087257385254 113204.078125 41.71 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2129 116.070816040039 34744.171875 12.8 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2130 131.929992675781 2230.50756835938 0.82 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2131 141.065704345703 4895.40673828125 1.8 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2132 154.506774902344 2119.57861328125 0.78 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2133 158.092391967773 271429.09375 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2134 158.154037475586 81701.859375 30.1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2135 158.583435058594 2426.4375 0.89 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2136 159.076904296875 3193.85131835938 1.18 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2137 159.090621948242 2369.67138671875 0.87 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2138 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2139 RECORD_TITLE: MZ:164.9301 | RT:40.2 | grpid:88 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2140 MS$FOCUSED_ION: PRECURSOR_M/Z 164.930053710938 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2141 AC$CHROMATOGRAPHY: RETENTION_TIME 40.1901702 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2142 XCMS groupid (grpid): 88 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2143 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2144 PK$NUM_PEAK: 3 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2145 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2146 113.554153442383 2184.888671875 0.2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2147 164.930191040039 1087757.25 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2148 165.09033203125 2780.28442382812 0.26 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2149 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2150 RECORD_TITLE: MZ:164.9301 | RT:40.2 | grpid:88 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2151 MS$FOCUSED_ION: PRECURSOR_M/Z 164.930053710938 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2152 AC$CHROMATOGRAPHY: RETENTION_TIME 40.1901702 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2153 XCMS groupid (grpid): 88 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2154 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2155 PK$NUM_PEAK: 3 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2156 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2157 113.554153442383 2184.888671875 0.2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2158 164.930191040039 1087757.25 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2159 165.09033203125 2780.28442382812 0.26 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2160 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2161 RECORD_TITLE: MZ:164.9301 | RT:40.3 | grpid:88 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2162 MS$FOCUSED_ION: PRECURSOR_M/Z 164.930099487305 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2163 AC$CHROMATOGRAPHY: RETENTION_TIME 40.331784 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2164 XCMS groupid (grpid): 88 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2165 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2166 PK$NUM_PEAK: 2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2167 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2168 140.266235351562 2726.23486328125 0.26 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2169 164.930282592773 1068471.625 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2170 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2171 RECORD_TITLE: MZ:164.9301 | RT:40.3 | grpid:88 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2172 MS$FOCUSED_ION: PRECURSOR_M/Z 164.930099487305 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2173 AC$CHROMATOGRAPHY: RETENTION_TIME 40.331784 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2174 XCMS groupid (grpid): 88 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2175 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2176 PK$NUM_PEAK: 2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2177 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2178 140.266235351562 2726.23486328125 0.26 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2179 164.930282592773 1068471.625 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2180 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2181 RECORD_TITLE: MZ:165.0545 | RT:70.5 | grpid:89 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2182 MS$FOCUSED_ION: PRECURSOR_M/Z 165.054473876953 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2183 AC$CHROMATOGRAPHY: RETENTION_TIME 70.461672 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2184 XCMS groupid (grpid): 89 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2185 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2186 PK$NUM_PEAK: 15 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2187 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2188 103.047622680664 7486.65576171875 0.14 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2189 103.054641723633 223038.375 4.22 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2190 105.044769287109 26794.7265625 0.51 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2191 107.049537658691 6146.01904296875 0.12 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2192 109.065132141113 162532.046875 3.07 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2193 119.049369812012 2385580.5 45.13 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2194 120.056350708008 3493.94995117188 0.07 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2195 120.808494567871 3175.38256835938 0.06 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2196 121.064964294434 132913.046875 2.51 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2197 123.04419708252 5286076.5 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2198 137.049652099609 5130.408203125 0.1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2199 137.05973815918 109032.796875 2.06 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2200 147.043975830078 1008241.625 19.07 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2201 164.070602416992 15849.2646484375 0.3 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2202 165.054550170898 263223.46875 4.98 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2203 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2204 RECORD_TITLE: MZ:165.0545 | RT:70.5 | grpid:89 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2205 MS$FOCUSED_ION: PRECURSOR_M/Z 165.054473876953 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2206 AC$CHROMATOGRAPHY: RETENTION_TIME 70.461672 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2207 XCMS groupid (grpid): 89 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2208 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2209 PK$NUM_PEAK: 15 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2210 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2211 103.047622680664 7486.65576171875 0.14 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2212 103.054641723633 223038.375 4.22 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2213 105.044769287109 26794.7265625 0.51 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2214 107.049537658691 6146.01904296875 0.12 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2215 109.065132141113 162532.046875 3.07 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2216 119.049369812012 2385580.5 45.13 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2217 120.056350708008 3493.94995117188 0.07 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2218 120.808494567871 3175.38256835938 0.06 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2219 121.064964294434 132913.046875 2.51 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2220 123.04419708252 5286076.5 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2221 137.049652099609 5130.408203125 0.1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2222 137.05973815918 109032.796875 2.06 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2223 147.043975830078 1008241.625 19.07 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2224 164.070602416992 15849.2646484375 0.3 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2225 165.054550170898 263223.46875 4.98 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2226 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2227 RECORD_TITLE: MZ:165.0544 | RT:70.5 | grpid:89 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2228 MS$FOCUSED_ION: PRECURSOR_M/Z 165.054412841797 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2229 AC$CHROMATOGRAPHY: RETENTION_TIME 70.461672 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2230 XCMS groupid (grpid): 89 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2231 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2232 PK$NUM_PEAK: 14 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2233 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2234 103.054786682129 27086.0703125 3.95 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2235 109.065139770508 18075.359375 2.63 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2236 110.195671081543 2245.8408203125 0.33 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2237 112.572219848633 2393.64599609375 0.35 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2238 119.049392700195 292255.15625 42.57 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2239 119.961051940918 2566.78955078125 0.37 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2240 121.06517791748 12046.9794921875 1.75 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2241 123.044273376465 686514 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2242 135.623550415039 2902.09716796875 0.42 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2243 137.059448242188 16255.1708984375 2.37 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2244 137.0966796875 2327.9169921875 0.34 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2245 147.044006347656 127812.8203125 18.62 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2246 165.054626464844 38177.86328125 5.56 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2247 165.091033935547 3725.4970703125 0.54 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2248 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2249 RECORD_TITLE: MZ:165.0544 | RT:70.5 | grpid:89 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2250 MS$FOCUSED_ION: PRECURSOR_M/Z 165.054412841797 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2251 AC$CHROMATOGRAPHY: RETENTION_TIME 70.461672 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2252 XCMS groupid (grpid): 89 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2253 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2254 PK$NUM_PEAK: 14 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2255 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2256 103.054786682129 27086.0703125 3.95 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2257 109.065139770508 18075.359375 2.63 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2258 110.195671081543 2245.8408203125 0.33 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2259 112.572219848633 2393.64599609375 0.35 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2260 119.049392700195 292255.15625 42.57 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2261 119.961051940918 2566.78955078125 0.37 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2262 121.06517791748 12046.9794921875 1.75 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2263 123.044273376465 686514 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2264 135.623550415039 2902.09716796875 0.42 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2265 137.059448242188 16255.1708984375 2.37 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2266 137.0966796875 2327.9169921875 0.34 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2267 147.044006347656 127812.8203125 18.62 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2268 165.054626464844 38177.86328125 5.56 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2269 165.091033935547 3725.4970703125 0.54 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2270 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2271 RECORD_TITLE: MZ:165.0545 | RT:70.6 | grpid:89 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2272 MS$FOCUSED_ION: PRECURSOR_M/Z 165.054458618164 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2273 AC$CHROMATOGRAPHY: RETENTION_TIME 70.627524 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2274 XCMS groupid (grpid): 89 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2275 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2276 PK$NUM_PEAK: 16 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2277 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2278 100.539291381836 3935.75927734375 0.04 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2279 103.054618835449 417247.46875 4.08 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2280 105.044906616211 40683.4765625 0.4 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2281 107.049537658691 10046.58203125 0.1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2282 109.065093994141 317792.625 3.11 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2283 118.064872741699 5888.3603515625 0.06 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2284 119.049331665039 4706528.5 46.06 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2285 120.057350158691 6141.52197265625 0.06 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2286 121.064956665039 244430.125 2.39 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2287 123.044151306152 10217871 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2288 137.0595703125 230678.90625 2.26 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2289 137.070190429688 8523.322265625 0.08 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2290 147.043930053711 1982656.25 19.4 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2291 160.074890136719 7089.93896484375 0.07 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2292 164.070022583008 30664.130859375 0.3 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2293 165.054534912109 567130.625 5.55 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2294 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2295 RECORD_TITLE: MZ:165.0545 | RT:70.6 | grpid:89 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2296 MS$FOCUSED_ION: PRECURSOR_M/Z 165.054458618164 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2297 AC$CHROMATOGRAPHY: RETENTION_TIME 70.627524 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2298 XCMS groupid (grpid): 89 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2299 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2300 PK$NUM_PEAK: 16 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2301 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2302 100.539291381836 3935.75927734375 0.04 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2303 103.054618835449 417247.46875 4.08 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2304 105.044906616211 40683.4765625 0.4 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2305 107.049537658691 10046.58203125 0.1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2306 109.065093994141 317792.625 3.11 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2307 118.064872741699 5888.3603515625 0.06 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2308 119.049331665039 4706528.5 46.06 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2309 120.057350158691 6141.52197265625 0.06 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2310 121.064956665039 244430.125 2.39 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2311 123.044151306152 10217871 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2312 137.0595703125 230678.90625 2.26 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2313 137.070190429688 8523.322265625 0.08 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2314 147.043930053711 1982656.25 19.4 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2315 160.074890136719 7089.93896484375 0.07 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2316 164.070022583008 30664.130859375 0.3 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2317 165.054534912109 567130.625 5.55 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2318 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2319 RECORD_TITLE: MZ:170.0923 | RT:61.4 | grpid:97 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2320 MS$FOCUSED_ION: PRECURSOR_M/Z 170.092300415039 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2321 AC$CHROMATOGRAPHY: RETENTION_TIME 61.39704 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2322 XCMS groupid (grpid): 97 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2323 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2324 PK$NUM_PEAK: 18 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2325 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2326 107.060882568359 13947.8642578125 0.27 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2327 109.076377868652 875055.4375 16.84 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2328 111.044410705566 4904.21484375 0.09 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2329 112.021850585938 20233.5703125 0.39 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2330 112.040084838867 4812.08251953125 0.09 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2331 124.006614685059 18975.83203125 0.37 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2332 124.087074279785 5196432 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2333 125.07105255127 98465.453125 1.89 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2334 126.102478027344 32363.91015625 0.62 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2335 128.070465087891 11916.4609375 0.23 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2336 128.375854492188 2823.04077148438 0.05 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2337 137.094619750977 4673.388671875 0.09 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2338 152.082061767578 15502.189453125 0.3 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2339 153.065658569336 15046.19921875 0.29 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2340 153.074935913086 12192.38671875 0.23 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2341 167.822860717773 2906.9189453125 0.06 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2342 170.092407226562 1208969.5 23.27 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2343 180.280914306641 3006.041015625 0.06 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2344 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2345 RECORD_TITLE: MZ:170.0923 | RT:61.4 | grpid:97 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2346 MS$FOCUSED_ION: PRECURSOR_M/Z 170.092300415039 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2347 AC$CHROMATOGRAPHY: RETENTION_TIME 61.39704 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2348 XCMS groupid (grpid): 97 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2349 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2350 PK$NUM_PEAK: 18 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2351 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2352 107.060882568359 13947.8642578125 0.27 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2353 109.076377868652 875055.4375 16.84 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2354 111.044410705566 4904.21484375 0.09 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2355 112.021850585938 20233.5703125 0.39 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2356 112.040084838867 4812.08251953125 0.09 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2357 124.006614685059 18975.83203125 0.37 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2358 124.087074279785 5196432 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2359 125.07105255127 98465.453125 1.89 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2360 126.102478027344 32363.91015625 0.62 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2361 128.070465087891 11916.4609375 0.23 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2362 128.375854492188 2823.04077148438 0.05 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2363 137.094619750977 4673.388671875 0.09 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2364 152.082061767578 15502.189453125 0.3 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2365 153.065658569336 15046.19921875 0.29 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2366 153.074935913086 12192.38671875 0.23 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2367 167.822860717773 2906.9189453125 0.06 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2368 170.092407226562 1208969.5 23.27 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2369 180.280914306641 3006.041015625 0.06 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2370 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2371 RECORD_TITLE: MZ:170.0922 | RT:61.4 | grpid:97 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2372 MS$FOCUSED_ION: PRECURSOR_M/Z 170.092178344727 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2373 AC$CHROMATOGRAPHY: RETENTION_TIME 61.39704 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2374 XCMS groupid (grpid): 97 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2375 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2376 PK$NUM_PEAK: 11 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2377 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2378 107.060668945312 16450.158203125 0.28 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2379 109.076354980469 971361 16.31 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2380 121.661956787109 4326.87255859375 0.07 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2381 124.087051391602 5956593 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2382 125.070938110352 102573.7578125 1.72 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2383 126.102600097656 31464.376953125 0.53 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2384 141.993515014648 6673.248046875 0.11 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2385 152.0810546875 13190.3134765625 0.22 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2386 153.064743041992 9025.560546875 0.15 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2387 153.075302124023 6579.4365234375 0.11 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2388 170.092330932617 1301886.75 21.86 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2389 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2390 RECORD_TITLE: MZ:170.0922 | RT:61.4 | grpid:97 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2391 MS$FOCUSED_ION: PRECURSOR_M/Z 170.092178344727 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2392 AC$CHROMATOGRAPHY: RETENTION_TIME 61.39704 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2393 XCMS groupid (grpid): 97 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2394 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2395 PK$NUM_PEAK: 11 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2396 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2397 107.060668945312 16450.158203125 0.28 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2398 109.076354980469 971361 16.31 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2399 121.661956787109 4326.87255859375 0.07 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2400 124.087051391602 5956593 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2401 125.070938110352 102573.7578125 1.72 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2402 126.102600097656 31464.376953125 0.53 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2403 141.993515014648 6673.248046875 0.11 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2404 152.0810546875 13190.3134765625 0.22 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2405 153.064743041992 9025.560546875 0.15 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2406 153.075302124023 6579.4365234375 0.11 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2407 170.092330932617 1301886.75 21.86 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2408 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2409 RECORD_TITLE: MZ:170.0922 | RT:61.4 | grpid:97 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2410 MS$FOCUSED_ION: PRECURSOR_M/Z 170.092163085938 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2411 AC$CHROMATOGRAPHY: RETENTION_TIME 61.39704 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2412 XCMS groupid (grpid): 97 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2413 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2414 PK$NUM_PEAK: 15 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2415 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2416 105.145324707031 2245.89477539062 0.1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2417 105.334617614746 2476.71166992188 0.11 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2418 107.060562133789 4008.23803710938 0.18 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2419 109.076377868652 380233.625 17.41 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2420 124.087089538574 2184260.75 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2421 125.071083068848 38325.93359375 1.75 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2422 126.102661132812 15777.12109375 0.72 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2423 135.064315795898 2614.66577148438 0.12 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2424 138.995697021484 2447.607421875 0.11 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2425 153.064514160156 5492.046875 0.25 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2426 153.742645263672 2643.74096679688 0.12 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2427 161.57975769043 2614.66870117188 0.12 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2428 170.092407226562 508832.28125 23.3 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2429 176.97477722168 2473.40576171875 0.11 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2430 182.148513793945 2651.91015625 0.12 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2431 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2432 RECORD_TITLE: MZ:170.0922 | RT:61.4 | grpid:97 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2433 MS$FOCUSED_ION: PRECURSOR_M/Z 170.092163085938 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2434 AC$CHROMATOGRAPHY: RETENTION_TIME 61.39704 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2435 XCMS groupid (grpid): 97 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2436 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2437 PK$NUM_PEAK: 15 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2438 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2439 105.145324707031 2245.89477539062 0.1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2440 105.334617614746 2476.71166992188 0.11 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2441 107.060562133789 4008.23803710938 0.18 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2442 109.076377868652 380233.625 17.41 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2443 124.087089538574 2184260.75 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2444 125.071083068848 38325.93359375 1.75 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2445 126.102661132812 15777.12109375 0.72 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2446 135.064315795898 2614.66577148438 0.12 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2447 138.995697021484 2447.607421875 0.11 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2448 153.064514160156 5492.046875 0.25 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2449 153.742645263672 2643.74096679688 0.12 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2450 161.57975769043 2614.66870117188 0.12 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2451 170.092407226562 508832.28125 23.3 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2452 176.97477722168 2473.40576171875 0.11 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2453 182.148513793945 2651.91015625 0.12 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2454 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2455 RECORD_TITLE: MZ:170.0922 | RT:61.5 | grpid:97 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2456 MS$FOCUSED_ION: PRECURSOR_M/Z 170.092239379883 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2457 AC$CHROMATOGRAPHY: RETENTION_TIME 61.541034 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2458 XCMS groupid (grpid): 97 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2459 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2460 PK$NUM_PEAK: 24 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2461 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2462 107.060768127441 15373.5869140625 0.24 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2463 109.076347351074 1060502.625 16.79 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2464 110.060234069824 4025.34326171875 0.06 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2465 111.044258117676 3225.56713867188 0.05 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2466 111.055854797363 2995.06518554688 0.05 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2467 112.021827697754 21773.23828125 0.34 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2468 112.039588928223 4353.66796875 0.07 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2469 118.223335266113 3222.78784179688 0.05 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2470 124.006942749023 20512.58203125 0.32 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2471 124.087036132812 6316565 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2472 125.07105255127 102709.859375 1.63 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2473 126.1025390625 37860.5859375 0.6 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2474 128.070678710938 5952.794921875 0.09 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2475 135.063735961914 5252.74267578125 0.08 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2476 137.094528198242 3160.576171875 0.05 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2477 152.081436157227 17513.4375 0.28 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2478 153.06559753418 15973.048828125 0.25 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2479 153.074905395508 14161.6572265625 0.22 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2480 154.203018188477 2757.21899414062 0.04 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2481 156.361328125 2914.513671875 0.05 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2482 170.092315673828 1509572.625 23.9 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2483 172.105773925781 3184.48876953125 0.05 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2484 175.105651855469 2735.99536132812 0.04 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2485 184.918167114258 2798.25317382812 0.04 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2486 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2487 RECORD_TITLE: MZ:170.0922 | RT:61.5 | grpid:97 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2488 MS$FOCUSED_ION: PRECURSOR_M/Z 170.092239379883 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2489 AC$CHROMATOGRAPHY: RETENTION_TIME 61.541034 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2490 XCMS groupid (grpid): 97 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2491 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2492 PK$NUM_PEAK: 24 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2493 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2494 107.060768127441 15373.5869140625 0.24 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2495 109.076347351074 1060502.625 16.79 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2496 110.060234069824 4025.34326171875 0.06 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2497 111.044258117676 3225.56713867188 0.05 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2498 111.055854797363 2995.06518554688 0.05 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2499 112.021827697754 21773.23828125 0.34 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2500 112.039588928223 4353.66796875 0.07 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2501 118.223335266113 3222.78784179688 0.05 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2502 124.006942749023 20512.58203125 0.32 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2503 124.087036132812 6316565 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2504 125.07105255127 102709.859375 1.63 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2505 126.1025390625 37860.5859375 0.6 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2506 128.070678710938 5952.794921875 0.09 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2507 135.063735961914 5252.74267578125 0.08 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2508 137.094528198242 3160.576171875 0.05 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2509 152.081436157227 17513.4375 0.28 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2510 153.06559753418 15973.048828125 0.25 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2511 153.074905395508 14161.6572265625 0.22 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2512 154.203018188477 2757.21899414062 0.04 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2513 156.361328125 2914.513671875 0.05 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2514 170.092315673828 1509572.625 23.9 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2515 172.105773925781 3184.48876953125 0.05 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2516 175.105651855469 2735.99536132812 0.04 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2517 184.918167114258 2798.25317382812 0.04 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2518 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2519 RECORD_TITLE: MZ:170.0922 | RT:61.5 | grpid:97 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2520 MS$FOCUSED_ION: PRECURSOR_M/Z 170.092193603516 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2521 AC$CHROMATOGRAPHY: RETENTION_TIME 61.541034 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2522 XCMS groupid (grpid): 97 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2523 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2524 PK$NUM_PEAK: 14 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2525 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2526 107.060707092285 18156.0234375 0.31 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2527 109.07633972168 978256.6875 16.52 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2528 124.087051391602 5920406.5 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2529 124.776504516602 5156.34765625 0.09 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2530 125.071044921875 115028.09375 1.94 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2531 126.102554321289 21559.130859375 0.36 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2532 128.069946289062 3624.29907226562 0.06 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2533 140.227127075195 3592.73754882812 0.06 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2534 141.993194580078 8866.5546875 0.15 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2535 152.082260131836 7487.27587890625 0.13 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2536 153.065353393555 16031.298828125 0.27 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2537 161.486694335938 3798.95678710938 0.06 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2538 164.813598632812 4068.50659179688 0.07 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2539 170.092330932617 1292886.25 21.84 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2540 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2541 RECORD_TITLE: MZ:170.0922 | RT:61.5 | grpid:97 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2542 MS$FOCUSED_ION: PRECURSOR_M/Z 170.092193603516 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2543 AC$CHROMATOGRAPHY: RETENTION_TIME 61.541034 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2544 XCMS groupid (grpid): 97 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2545 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2546 PK$NUM_PEAK: 14 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2547 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2548 107.060707092285 18156.0234375 0.31 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2549 109.07633972168 978256.6875 16.52 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2550 124.087051391602 5920406.5 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2551 124.776504516602 5156.34765625 0.09 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2552 125.071044921875 115028.09375 1.94 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2553 126.102554321289 21559.130859375 0.36 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2554 128.069946289062 3624.29907226562 0.06 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2555 140.227127075195 3592.73754882812 0.06 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2556 141.993194580078 8866.5546875 0.15 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2557 152.082260131836 7487.27587890625 0.13 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2558 153.065353393555 16031.298828125 0.27 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2559 161.486694335938 3798.95678710938 0.06 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2560 164.813598632812 4068.50659179688 0.07 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2561 170.092330932617 1292886.25 21.84 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2562 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2563 RECORD_TITLE: MZ:170.0922 | RT:61.5 | grpid:97 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2564 MS$FOCUSED_ION: PRECURSOR_M/Z 170.092163085938 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2565 AC$CHROMATOGRAPHY: RETENTION_TIME 61.541034 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2566 XCMS groupid (grpid): 97 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2567 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2568 PK$NUM_PEAK: 12 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2569 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2570 101.621025085449 2269.9384765625 0.09 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2571 107.060638427734 3229.0859375 0.13 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2572 109.076332092285 417766.28125 16.91 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2573 124.087066650391 2470912.5 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2574 125.070953369141 43200.68359375 1.75 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2575 126.102294921875 18560.83203125 0.75 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2576 133.88542175293 2765.97875976562 0.11 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2577 136.17431640625 2527.61645507812 0.1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2578 152.081909179688 4845.8095703125 0.2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2579 153.064727783203 4441.82763671875 0.18 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2580 163.20768737793 2920.42114257812 0.12 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2581 170.092361450195 564725.8125 22.85 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2582 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2583 RECORD_TITLE: MZ:170.0922 | RT:61.5 | grpid:97 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2584 MS$FOCUSED_ION: PRECURSOR_M/Z 170.092163085938 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2585 AC$CHROMATOGRAPHY: RETENTION_TIME 61.541034 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2586 XCMS groupid (grpid): 97 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2587 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2588 PK$NUM_PEAK: 12 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2589 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2590 101.621025085449 2269.9384765625 0.09 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2591 107.060638427734 3229.0859375 0.13 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2592 109.076332092285 417766.28125 16.91 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2593 124.087066650391 2470912.5 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2594 125.070953369141 43200.68359375 1.75 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2595 126.102294921875 18560.83203125 0.75 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2596 133.88542175293 2765.97875976562 0.11 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2597 136.17431640625 2527.61645507812 0.1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2598 152.081909179688 4845.8095703125 0.2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2599 153.064727783203 4441.82763671875 0.18 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2600 163.20768737793 2920.42114257812 0.12 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2601 170.092361450195 564725.8125 22.85 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2602 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2603 RECORD_TITLE: MZ:178.0585 | RT:45.4 | grpid:106 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2604 MS$FOCUSED_ION: PRECURSOR_M/Z 178.058502197266 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2605 AC$CHROMATOGRAPHY: RETENTION_TIME 45.3966672 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2606 XCMS groupid (grpid): 106 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2607 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2608 PK$NUM_PEAK: 8 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2609 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2610 105.042701721191 18699.494140625 1.23 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2611 132.053298950195 6451.77587890625 0.42 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2612 133.037292480469 317993.375 20.91 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2613 134.069046020508 18599.423828125 1.22 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2614 139.946014404297 3551.38818359375 0.23 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2615 160.047637939453 14908.2802734375 0.98 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2616 161.032012939453 5340.20654296875 0.35 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2617 178.058624267578 1521016.25 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2618 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2619 RECORD_TITLE: MZ:178.0585 | RT:45.4 | grpid:106 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2620 MS$FOCUSED_ION: PRECURSOR_M/Z 178.058502197266 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2621 AC$CHROMATOGRAPHY: RETENTION_TIME 45.3966672 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2622 XCMS groupid (grpid): 106 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2623 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2624 PK$NUM_PEAK: 8 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2625 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2626 105.042701721191 18699.494140625 1.23 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2627 132.053298950195 6451.77587890625 0.42 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2628 133.037292480469 317993.375 20.91 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2629 134.069046020508 18599.423828125 1.22 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2630 139.946014404297 3551.38818359375 0.23 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2631 160.047637939453 14908.2802734375 0.98 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2632 161.032012939453 5340.20654296875 0.35 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2633 178.058624267578 1521016.25 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2634 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2635 RECORD_TITLE: MZ:178.0585 | RT:45.5 | grpid:106 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2636 MS$FOCUSED_ION: PRECURSOR_M/Z 178.058502197266 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2637 AC$CHROMATOGRAPHY: RETENTION_TIME 45.5280288 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2638 XCMS groupid (grpid): 106 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2639 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2640 PK$NUM_PEAK: 8 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2641 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2642 105.042724609375 14917.9775390625 0.99 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2643 119.994201660156 3506.71118164062 0.23 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2644 133.037322998047 331483.9375 22.1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2645 134.069076538086 17777.802734375 1.19 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2646 160.048583984375 23262.9453125 1.55 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2647 161.032791137695 5786.8955078125 0.39 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2648 178.058654785156 1500183.125 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2649 182.990447998047 3695.43188476562 0.25 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2650 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2651 RECORD_TITLE: MZ:178.0585 | RT:45.5 | grpid:106 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2652 MS$FOCUSED_ION: PRECURSOR_M/Z 178.058502197266 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2653 AC$CHROMATOGRAPHY: RETENTION_TIME 45.5280288 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2654 XCMS groupid (grpid): 106 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2655 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2656 PK$NUM_PEAK: 8 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2657 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2658 105.042724609375 14917.9775390625 0.99 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2659 119.994201660156 3506.71118164062 0.23 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2660 133.037322998047 331483.9375 22.1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2661 134.069076538086 17777.802734375 1.19 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2662 160.048583984375 23262.9453125 1.55 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2663 161.032791137695 5786.8955078125 0.39 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2664 178.058654785156 1500183.125 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2665 182.990447998047 3695.43188476562 0.25 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2666 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2667 RECORD_TITLE: MZ:182.0809 | RT:70.5 | grpid:114 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2668 MS$FOCUSED_ION: PRECURSOR_M/Z 182.080947875977 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2669 AC$CHROMATOGRAPHY: RETENTION_TIME 70.461672 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2670 XCMS groupid (grpid): 114 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2671 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2672 PK$NUM_PEAK: 14 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2673 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2674 103.054595947266 103726.984375 1.11 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2675 107.049354553223 97268.375 1.04 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2676 108.08130645752 17050.2421875 0.18 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2677 109.064964294434 90102.03125 0.96 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2678 118.065231323242 106985.28125 1.15 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2679 119.049301147461 3398074.5 36.39 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2680 121.064971923828 123469.3671875 1.32 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2681 123.044151306152 4669008 50 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2682 136.075576782227 9337911 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2683 137.059539794922 52548.7421875 0.56 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2684 147.043884277344 1583597.75 16.96 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2685 164.071044921875 14618.810546875 0.16 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2686 165.054504394531 3043035.5 32.59 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2687 182.081039428711 308739.4375 3.31 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2688 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2689 RECORD_TITLE: MZ:182.0809 | RT:70.5 | grpid:114 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2690 MS$FOCUSED_ION: PRECURSOR_M/Z 182.080947875977 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2691 AC$CHROMATOGRAPHY: RETENTION_TIME 70.461672 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2692 XCMS groupid (grpid): 114 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2693 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2694 PK$NUM_PEAK: 14 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2695 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2696 103.054595947266 103726.984375 1.11 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2697 107.049354553223 97268.375 1.04 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2698 108.08130645752 17050.2421875 0.18 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2699 109.064964294434 90102.03125 0.96 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2700 118.065231323242 106985.28125 1.15 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2701 119.049301147461 3398074.5 36.39 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2702 121.064971923828 123469.3671875 1.32 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2703 123.044151306152 4669008 50 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2704 136.075576782227 9337911 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2705 137.059539794922 52548.7421875 0.56 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2706 147.043884277344 1583597.75 16.96 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2707 164.071044921875 14618.810546875 0.16 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2708 165.054504394531 3043035.5 32.59 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2709 182.081039428711 308739.4375 3.31 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2710 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2711 RECORD_TITLE: MZ:182.081 | RT:70.5 | grpid:114 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2712 MS$FOCUSED_ION: PRECURSOR_M/Z 182.080978393555 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2713 AC$CHROMATOGRAPHY: RETENTION_TIME 70.461672 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2714 XCMS groupid (grpid): 114 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2715 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2716 PK$NUM_PEAK: 20 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2717 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2718 100.320121765137 9264.521484375 0.14 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2719 103.054878234863 74545.140625 1.15 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2720 107.049629211426 51817.8359375 0.8 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2721 109.065185546875 53715.26953125 0.83 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2722 109.256134033203 9142.06640625 0.14 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2723 110.722190856934 11098.7626953125 0.17 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2724 118.065391540527 64749.48046875 1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2725 119.04940032959 2214452.25 34.21 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2726 120.90535736084 9636.4365234375 0.15 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2727 121.064880371094 82741.59375 1.28 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2728 123.013374328613 10256.3466796875 0.16 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2729 123.04426574707 3151862.75 48.7 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2730 136.075729370117 6472187.5 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2731 137.059829711914 23775.451171875 0.37 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2732 147.043975830078 1107921.375 17.12 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2733 148.275634765625 12212.5771484375 0.19 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2734 165.054626464844 2178420.75 33.66 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2735 171.065704345703 10540.208984375 0.16 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2736 182.080993652344 193054.875 2.98 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2737 203.00358581543 10252.1640625 0.16 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2738 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2739 RECORD_TITLE: MZ:182.081 | RT:70.5 | grpid:114 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2740 MS$FOCUSED_ION: PRECURSOR_M/Z 182.080978393555 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2741 AC$CHROMATOGRAPHY: RETENTION_TIME 70.461672 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2742 XCMS groupid (grpid): 114 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2743 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2744 PK$NUM_PEAK: 20 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2745 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2746 100.320121765137 9264.521484375 0.14 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2747 103.054878234863 74545.140625 1.15 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2748 107.049629211426 51817.8359375 0.8 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2749 109.065185546875 53715.26953125 0.83 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2750 109.256134033203 9142.06640625 0.14 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2751 110.722190856934 11098.7626953125 0.17 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2752 118.065391540527 64749.48046875 1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2753 119.04940032959 2214452.25 34.21 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2754 120.90535736084 9636.4365234375 0.15 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2755 121.064880371094 82741.59375 1.28 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2756 123.013374328613 10256.3466796875 0.16 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2757 123.04426574707 3151862.75 48.7 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2758 136.075729370117 6472187.5 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2759 137.059829711914 23775.451171875 0.37 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2760 147.043975830078 1107921.375 17.12 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2761 148.275634765625 12212.5771484375 0.19 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2762 165.054626464844 2178420.75 33.66 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2763 171.065704345703 10540.208984375 0.16 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2764 182.080993652344 193054.875 2.98 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2765 203.00358581543 10252.1640625 0.16 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2766 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2767 RECORD_TITLE: MZ:182.081 | RT:70.5 | grpid:114 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2768 MS$FOCUSED_ION: PRECURSOR_M/Z 182.081024169922 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2769 AC$CHROMATOGRAPHY: RETENTION_TIME 70.461672 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2770 XCMS groupid (grpid): 114 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2771 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2772 PK$NUM_PEAK: 13 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2773 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2774 113.060180664062 9484.7177734375 3.56 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2775 124.075897216797 266098.90625 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2776 124.999954223633 104344.8125 39.21 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2777 127.17204284668 2726.818359375 1.02 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2778 131.070602416992 2691.93481445312 1.01 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2779 136.075561523438 9353.2470703125 3.51 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2780 138.08171081543 4718.5654296875 1.77 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2781 142.086120605469 23398.38671875 8.79 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2782 156.101470947266 3076.6025390625 1.16 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2783 166.086441040039 27530.96875 10.35 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2784 167.060256958008 2652.03051757812 1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2785 184.073364257812 148342.21875 55.75 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2786 184.096908569336 155832.015625 58.56 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2787 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2788 RECORD_TITLE: MZ:182.081 | RT:70.5 | grpid:114 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2789 MS$FOCUSED_ION: PRECURSOR_M/Z 182.081024169922 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2790 AC$CHROMATOGRAPHY: RETENTION_TIME 70.461672 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2791 XCMS groupid (grpid): 114 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2792 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2793 PK$NUM_PEAK: 13 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2794 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2795 113.060180664062 9484.7177734375 3.56 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2796 124.075897216797 266098.90625 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2797 124.999954223633 104344.8125 39.21 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2798 127.17204284668 2726.818359375 1.02 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2799 131.070602416992 2691.93481445312 1.01 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2800 136.075561523438 9353.2470703125 3.51 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2801 138.08171081543 4718.5654296875 1.77 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2802 142.086120605469 23398.38671875 8.79 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2803 156.101470947266 3076.6025390625 1.16 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2804 166.086441040039 27530.96875 10.35 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2805 167.060256958008 2652.03051757812 1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2806 184.073364257812 148342.21875 55.75 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2807 184.096908569336 155832.015625 58.56 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2808 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2809 RECORD_TITLE: MZ:182.081 | RT:70.6 | grpid:114 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2810 MS$FOCUSED_ION: PRECURSOR_M/Z 182.081039428711 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2811 AC$CHROMATOGRAPHY: RETENTION_TIME 70.627524 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2812 XCMS groupid (grpid): 114 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2813 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2814 PK$NUM_PEAK: 15 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2815 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2816 103.054618835449 198073.015625 1.2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2817 107.049377441406 148026.125 0.9 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2818 108.081100463867 17804.21484375 0.11 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2819 109.065116882324 139673.46875 0.85 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2820 118.065338134766 168543.90625 1.02 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2821 119.049339294434 5599575.5 34 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2822 121.064888000488 195145.625 1.18 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2823 123.044204711914 7696469 46.73 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2824 136.075637817383 16471685 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2825 137.059722900391 100486.8125 0.61 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2826 141.053939819336 10540.8369140625 0.06 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2827 147.0439453125 2737939.75 16.62 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2828 164.070251464844 15925.1796875 0.1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2829 165.054565429688 5599976 34 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2830 182.081069946289 506954.8125 3.08 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2831 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2832 RECORD_TITLE: MZ:182.081 | RT:70.6 | grpid:114 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2833 MS$FOCUSED_ION: PRECURSOR_M/Z 182.081039428711 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2834 AC$CHROMATOGRAPHY: RETENTION_TIME 70.627524 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2835 XCMS groupid (grpid): 114 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2836 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2837 PK$NUM_PEAK: 15 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2838 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2839 103.054618835449 198073.015625 1.2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2840 107.049377441406 148026.125 0.9 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2841 108.081100463867 17804.21484375 0.11 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2842 109.065116882324 139673.46875 0.85 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2843 118.065338134766 168543.90625 1.02 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2844 119.049339294434 5599575.5 34 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2845 121.064888000488 195145.625 1.18 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2846 123.044204711914 7696469 46.73 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2847 136.075637817383 16471685 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2848 137.059722900391 100486.8125 0.61 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2849 141.053939819336 10540.8369140625 0.06 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2850 147.0439453125 2737939.75 16.62 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2851 164.070251464844 15925.1796875 0.1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2852 165.054565429688 5599976 34 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2853 182.081069946289 506954.8125 3.08 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2854 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2855 RECORD_TITLE: MZ:182.081 | RT:70.6 | grpid:114 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2856 MS$FOCUSED_ION: PRECURSOR_M/Z 182.080963134766 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2857 AC$CHROMATOGRAPHY: RETENTION_TIME 70.627524 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2858 XCMS groupid (grpid): 114 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2859 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2860 PK$NUM_PEAK: 15 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2861 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2862 103.054634094238 77368.390625 1.14 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2863 107.049468994141 44136.1640625 0.65 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2864 109.065040588379 64803.7421875 0.95 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2865 116.225982666016 10581.9248046875 0.16 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2866 118.065147399902 60138.7265625 0.88 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2867 119.049385070801 2422319.75 35.56 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2868 121.064971923828 79301.5703125 1.16 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2869 123.04426574707 3350855.25 49.19 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2870 136.075714111328 6812675 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2871 137.059661865234 40871.0546875 0.6 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2872 147.044021606445 1221085.5 17.92 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2873 164.658981323242 10550.29296875 0.15 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2874 165.054611206055 2230434.5 32.74 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2875 182.0810546875 217155.296875 3.19 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2876 186.324645996094 11166.697265625 0.16 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2877 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2878 RECORD_TITLE: MZ:182.081 | RT:70.6 | grpid:114 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2879 MS$FOCUSED_ION: PRECURSOR_M/Z 182.080963134766 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2880 AC$CHROMATOGRAPHY: RETENTION_TIME 70.627524 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2881 XCMS groupid (grpid): 114 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2882 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2883 PK$NUM_PEAK: 15 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2884 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2885 103.054634094238 77368.390625 1.14 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2886 107.049468994141 44136.1640625 0.65 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2887 109.065040588379 64803.7421875 0.95 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2888 116.225982666016 10581.9248046875 0.16 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2889 118.065147399902 60138.7265625 0.88 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2890 119.049385070801 2422319.75 35.56 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2891 121.064971923828 79301.5703125 1.16 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2892 123.04426574707 3350855.25 49.19 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2893 136.075714111328 6812675 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2894 137.059661865234 40871.0546875 0.6 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2895 147.044021606445 1221085.5 17.92 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2896 164.658981323242 10550.29296875 0.15 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2897 165.054611206055 2230434.5 32.74 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2898 182.0810546875 217155.296875 3.19 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2899 186.324645996094 11166.697265625 0.16 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2900 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2901 RECORD_TITLE: MZ:182.081 | RT:70.6 | grpid:114 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2902 MS$FOCUSED_ION: PRECURSOR_M/Z 182.081008911133 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2903 AC$CHROMATOGRAPHY: RETENTION_TIME 70.627524 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2904 XCMS groupid (grpid): 114 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2905 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2906 PK$NUM_PEAK: 23 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2907 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2908 104.10750579834 3364.56030273438 1.07 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2909 112.075828552246 2400.29663085938 0.77 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2910 113.059982299805 16064.193359375 5.13 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2911 119.049766540527 2463.91186523438 0.79 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2912 121.054534912109 3126.29736328125 1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2913 123.043594360352 2909.40307617188 0.93 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2914 124.075897216797 313413.96875 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2915 125.000045776367 104895.03125 33.47 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2916 125.049911499023 5278.5419921875 1.68 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2917 131.070434570312 5383.4892578125 1.72 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2918 136.075988769531 14331.283203125 4.57 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2919 138.081314086914 10983.623046875 3.5 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2920 142.086334228516 31141.51171875 9.94 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2921 149.050857543945 2868.37182617188 0.92 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2922 149.879318237305 3004.58251953125 0.96 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2923 151.583862304688 2372.27661132812 0.76 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2924 166.086273193359 36714.74609375 11.71 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2925 167.059677124023 5475.73046875 1.75 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2926 184.049468994141 3548.56176757812 1.13 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2927 184.073394775391 177200 56.54 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2928 184.097015380859 185418.65625 59.16 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2929 184.132873535156 5425.24560546875 1.73 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2930 187.940414428711 2508.79296875 0.8 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2931 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2932 RECORD_TITLE: MZ:182.081 | RT:70.6 | grpid:114 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2933 MS$FOCUSED_ION: PRECURSOR_M/Z 182.081008911133 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2934 AC$CHROMATOGRAPHY: RETENTION_TIME 70.627524 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2935 XCMS groupid (grpid): 114 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2936 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2937 PK$NUM_PEAK: 23 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2938 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2939 104.10750579834 3364.56030273438 1.07 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2940 112.075828552246 2400.29663085938 0.77 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2941 113.059982299805 16064.193359375 5.13 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2942 119.049766540527 2463.91186523438 0.79 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2943 121.054534912109 3126.29736328125 1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2944 123.043594360352 2909.40307617188 0.93 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2945 124.075897216797 313413.96875 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2946 125.000045776367 104895.03125 33.47 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2947 125.049911499023 5278.5419921875 1.68 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2948 131.070434570312 5383.4892578125 1.72 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2949 136.075988769531 14331.283203125 4.57 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2950 138.081314086914 10983.623046875 3.5 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2951 142.086334228516 31141.51171875 9.94 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2952 149.050857543945 2868.37182617188 0.92 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2953 149.879318237305 3004.58251953125 0.96 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2954 151.583862304688 2372.27661132812 0.76 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2955 166.086273193359 36714.74609375 11.71 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2956 167.059677124023 5475.73046875 1.75 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2957 184.049468994141 3548.56176757812 1.13 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2958 184.073394775391 177200 56.54 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2959 184.097015380859 185418.65625 59.16 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2960 184.132873535156 5425.24560546875 1.73 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2961 187.940414428711 2508.79296875 0.8 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2962 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2963 RECORD_TITLE: MZ:189.1232 | RT:49.2 | grpid:127 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2964 MS$FOCUSED_ION: PRECURSOR_M/Z 189.123199462891 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2965 AC$CHROMATOGRAPHY: RETENTION_TIME 49.182402 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2966 XCMS groupid (grpid): 127 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2967 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2968 PK$NUM_PEAK: 11 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2969 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2970 115.086784362793 8240.8359375 2.82 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2971 116.070785522461 66374.9765625 22.72 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2972 118.086532592773 292157.0625 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2973 130.086364746094 7183.04931640625 2.46 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2974 143.118041992188 74548.171875 25.52 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2975 144.112991333008 34779.625 11.9 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2976 158.09309387207 4647.126953125 1.59 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2977 172.108306884766 6683.4912109375 2.29 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2978 183.845306396484 3709.67822265625 1.27 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2979 189.123382568359 82376.6484375 28.2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2980 189.135848999023 52375.484375 17.93 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2981 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2982 RECORD_TITLE: MZ:189.1232 | RT:49.2 | grpid:127 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2983 MS$FOCUSED_ION: PRECURSOR_M/Z 189.123199462891 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2984 AC$CHROMATOGRAPHY: RETENTION_TIME 49.182402 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2985 XCMS groupid (grpid): 127 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2986 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2987 PK$NUM_PEAK: 11 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2988 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2989 115.086784362793 8240.8359375 2.82 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2990 116.070785522461 66374.9765625 22.72 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2991 118.086532592773 292157.0625 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2992 130.086364746094 7183.04931640625 2.46 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2993 143.118041992188 74548.171875 25.52 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2994 144.112991333008 34779.625 11.9 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2995 158.09309387207 4647.126953125 1.59 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2996 172.108306884766 6683.4912109375 2.29 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2997 183.845306396484 3709.67822265625 1.27 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2998 189.123382568359 82376.6484375 28.2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2999 189.135848999023 52375.484375 17.93 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3000 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3001 RECORD_TITLE: MZ:189.1232 | RT:50.1 | grpid:127 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3002 MS$FOCUSED_ION: PRECURSOR_M/Z 189.12321472168 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3003 AC$CHROMATOGRAPHY: RETENTION_TIME 50.0837946 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3004 XCMS groupid (grpid): 127 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3005 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3006 PK$NUM_PEAK: 14 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3007 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3008 115.08699798584 16498.677734375 14.45 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3009 116.070922851562 114139.1640625 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3010 118.086608886719 16398.6328125 14.37 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3011 129.102462768555 14589.509765625 12.78 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3012 130.086517333984 25180.728515625 22.06 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3013 133.097732543945 11934.60546875 10.46 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3014 143.117904663086 10899.03515625 9.55 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3015 144.113189697266 43067.1015625 37.73 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3016 158.092788696289 16470.595703125 14.43 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3017 172.108413696289 12440.703125 10.9 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3018 189.122100830078 29789.7734375 26.1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3019 189.136917114258 98533.8515625 86.33 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3020 189.159866333008 3757.07299804688 3.29 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3021 207.453216552734 2729.31713867188 2.39 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3022 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3023 RECORD_TITLE: MZ:189.1232 | RT:50.1 | grpid:127 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3024 MS$FOCUSED_ION: PRECURSOR_M/Z 189.12321472168 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3025 AC$CHROMATOGRAPHY: RETENTION_TIME 50.0837946 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3026 XCMS groupid (grpid): 127 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3027 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3028 PK$NUM_PEAK: 14 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3029 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3030 115.08699798584 16498.677734375 14.45 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3031 116.070922851562 114139.1640625 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3032 118.086608886719 16398.6328125 14.37 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3033 129.102462768555 14589.509765625 12.78 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3034 130.086517333984 25180.728515625 22.06 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3035 133.097732543945 11934.60546875 10.46 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3036 143.117904663086 10899.03515625 9.55 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3037 144.113189697266 43067.1015625 37.73 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3038 158.092788696289 16470.595703125 14.43 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3039 172.108413696289 12440.703125 10.9 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3040 189.122100830078 29789.7734375 26.1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3041 189.136917114258 98533.8515625 86.33 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3042 189.159866333008 3757.07299804688 3.29 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3043 207.453216552734 2729.31713867188 2.39 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3044 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3045 RECORD_TITLE: MZ:191.0402 | RT:41.7 | grpid:131 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3046 MS$FOCUSED_ION: PRECURSOR_M/Z 191.040237426758 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3047 AC$CHROMATOGRAPHY: RETENTION_TIME 41.6846646 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3048 XCMS groupid (grpid): 131 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3049 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3050 PK$NUM_PEAK: 13 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3051 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3052 120.065925598145 23138.59765625 3.5 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3053 128.386154174805 2485.62475585938 0.38 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3054 129.069854736328 2920.63305664062 0.44 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3055 131.086135864258 2316.15380859375 0.35 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3056 134.911239624023 3118.84326171875 0.47 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3057 134.996658325195 5442.49462890625 0.82 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3058 139.740753173828 2229.943359375 0.34 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3059 158.893478393555 2400.29345703125 0.36 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3060 173.015426635742 5461.96044921875 0.83 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3061 173.029724121094 91503.421875 13.85 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3062 191.040328979492 525871.3125 79.61 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3063 191.076614379883 660586.1875 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3064 192.024291992188 2978.47924804688 0.45 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3065 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3066 RECORD_TITLE: MZ:191.0402 | RT:41.7 | grpid:131 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3067 MS$FOCUSED_ION: PRECURSOR_M/Z 191.040237426758 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3068 AC$CHROMATOGRAPHY: RETENTION_TIME 41.6846646 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3069 XCMS groupid (grpid): 131 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3070 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3071 PK$NUM_PEAK: 13 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3072 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3073 120.065925598145 23138.59765625 3.5 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3074 128.386154174805 2485.62475585938 0.38 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3075 129.069854736328 2920.63305664062 0.44 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3076 131.086135864258 2316.15380859375 0.35 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3077 134.911239624023 3118.84326171875 0.47 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3078 134.996658325195 5442.49462890625 0.82 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3079 139.740753173828 2229.943359375 0.34 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3080 158.893478393555 2400.29345703125 0.36 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3081 173.015426635742 5461.96044921875 0.83 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3082 173.029724121094 91503.421875 13.85 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3083 191.040328979492 525871.3125 79.61 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3084 191.076614379883 660586.1875 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3085 192.024291992188 2978.47924804688 0.45 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3086 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3087 RECORD_TITLE: MZ:191.0402 | RT:41.7 | grpid:131 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3088 MS$FOCUSED_ION: PRECURSOR_M/Z 191.040237426758 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3089 AC$CHROMATOGRAPHY: RETENTION_TIME 41.6846646 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3090 XCMS groupid (grpid): 131 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3091 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3092 PK$NUM_PEAK: 10 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3093 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3094 102.055480957031 2989.11010742188 0.46 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3095 110.023178100586 4453.75390625 0.68 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3096 116.986175537109 3633.86962890625 0.56 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3097 120.065925598145 22140.388671875 3.4 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3098 126.568000793457 2404.74658203125 0.37 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3099 128.070831298828 4361.34326171875 0.67 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3100 156.448364257812 2624.12231445312 0.4 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3101 173.029830932617 100052.8125 15.37 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3102 191.040267944336 584111.625 89.74 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3103 191.076553344727 650886.125 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3104 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3105 RECORD_TITLE: MZ:191.0402 | RT:41.7 | grpid:131 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3106 MS$FOCUSED_ION: PRECURSOR_M/Z 191.040237426758 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3107 AC$CHROMATOGRAPHY: RETENTION_TIME 41.6846646 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3108 XCMS groupid (grpid): 131 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3109 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3110 PK$NUM_PEAK: 10 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3111 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3112 102.055480957031 2989.11010742188 0.46 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3113 110.023178100586 4453.75390625 0.68 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3114 116.986175537109 3633.86962890625 0.56 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3115 120.065925598145 22140.388671875 3.4 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3116 126.568000793457 2404.74658203125 0.37 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3117 128.070831298828 4361.34326171875 0.67 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3118 156.448364257812 2624.12231445312 0.4 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3119 173.029830932617 100052.8125 15.37 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3120 191.040267944336 584111.625 89.74 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3121 191.076553344727 650886.125 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3122 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3123 RECORD_TITLE: MZ:191.0402 | RT:41.7 | grpid:131 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3124 MS$FOCUSED_ION: PRECURSOR_M/Z 191.040191650391 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3125 AC$CHROMATOGRAPHY: RETENTION_TIME 41.6846646 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3126 XCMS groupid (grpid): 131 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3127 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3128 PK$NUM_PEAK: 11 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3129 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3130 102.055397033691 6061.30029296875 0.19 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3131 111.853385925293 4386.8701171875 0.14 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3132 115.874839782715 4441.072265625 0.14 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3133 116.986557006836 4422.6650390625 0.14 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3134 120.003273010254 7490.83056640625 0.23 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3135 120.065788269043 36437.609375 1.13 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3136 130.024032592773 6415.89990234375 0.2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3137 133.80451965332 5088.212890625 0.16 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3138 173.029708862305 610622 18.98 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3139 191.040267944336 3217774.75 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3140 191.076446533203 999525 31.06 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3141 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3142 RECORD_TITLE: MZ:191.0402 | RT:41.7 | grpid:131 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3143 MS$FOCUSED_ION: PRECURSOR_M/Z 191.040191650391 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3144 AC$CHROMATOGRAPHY: RETENTION_TIME 41.6846646 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3145 XCMS groupid (grpid): 131 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3146 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3147 PK$NUM_PEAK: 11 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3148 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3149 102.055397033691 6061.30029296875 0.19 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3150 111.853385925293 4386.8701171875 0.14 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3151 115.874839782715 4441.072265625 0.14 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3152 116.986557006836 4422.6650390625 0.14 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3153 120.003273010254 7490.83056640625 0.23 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3154 120.065788269043 36437.609375 1.13 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3155 130.024032592773 6415.89990234375 0.2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3156 133.80451965332 5088.212890625 0.16 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3157 173.029708862305 610622 18.98 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3158 191.040267944336 3217774.75 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3159 191.076446533203 999525 31.06 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3160 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3161 RECORD_TITLE: MZ:192.0687 | RT:121.8 | grpid:134 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3162 MS$FOCUSED_ION: PRECURSOR_M/Z 192.06867980957 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3163 AC$CHROMATOGRAPHY: RETENTION_TIME 121.840812 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3164 XCMS groupid (grpid): 134 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3165 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3166 PK$NUM_PEAK: 9 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3167 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3168 102.055397033691 3442.68041992188 4.92 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3169 104.053359985352 70038.1953125 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3170 133.031921386719 29066.0625 41.5 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3171 144.065444946289 54286.5 77.51 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3172 146.063888549805 4671.99365234375 6.67 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3173 150.05842590332 24492.08984375 34.97 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3174 171.473907470703 2700.43920898438 3.86 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3175 181.562118530273 2402.322265625 3.43 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3176 193.007995605469 2239.99389648438 3.2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3177 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3178 RECORD_TITLE: MZ:192.0687 | RT:121.8 | grpid:134 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3179 MS$FOCUSED_ION: PRECURSOR_M/Z 192.06867980957 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3180 AC$CHROMATOGRAPHY: RETENTION_TIME 121.840812 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3181 XCMS groupid (grpid): 134 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3182 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3183 PK$NUM_PEAK: 9 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3184 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3185 102.055397033691 3442.68041992188 4.92 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3186 104.053359985352 70038.1953125 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3187 133.031921386719 29066.0625 41.5 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3188 144.065444946289 54286.5 77.51 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3189 146.063888549805 4671.99365234375 6.67 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3190 150.05842590332 24492.08984375 34.97 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3191 171.473907470703 2700.43920898438 3.86 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3192 181.562118530273 2402.322265625 3.43 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3193 193.007995605469 2239.99389648438 3.2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3194 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3195 RECORD_TITLE: MZ:194.0325 | RT:45.4 | grpid:136 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3196 MS$FOCUSED_ION: PRECURSOR_M/Z 194.032531738281 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3197 AC$CHROMATOGRAPHY: RETENTION_TIME 45.3966672 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3198 XCMS groupid (grpid): 136 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3199 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3200 PK$NUM_PEAK: 3 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3201 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3202 103.315864562988 2078.95581054688 54.54 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3203 158.081451416016 3618.328125 94.92 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3204 194.032531738281 3812.11279296875 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3205 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3206 RECORD_TITLE: MZ:194.0325 | RT:45.4 | grpid:136 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3207 MS$FOCUSED_ION: PRECURSOR_M/Z 194.032531738281 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3208 AC$CHROMATOGRAPHY: RETENTION_TIME 45.3966672 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3209 XCMS groupid (grpid): 136 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3210 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3211 PK$NUM_PEAK: 3 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3212 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3213 103.315864562988 2078.95581054688 54.54 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3214 158.081451416016 3618.328125 94.92 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3215 194.032531738281 3812.11279296875 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3216 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3217 RECORD_TITLE: MZ:194.0325 | RT:45.5 | grpid:136 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3218 MS$FOCUSED_ION: PRECURSOR_M/Z 194.032531738281 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3219 AC$CHROMATOGRAPHY: RETENTION_TIME 45.5280288 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3220 XCMS groupid (grpid): 136 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3221 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3222 PK$NUM_PEAK: 5 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3223 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3224 125.504974365234 2372.77172851562 68.39 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3225 141.887588500977 2384.751953125 68.73 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3226 146.027267456055 2972.51196289062 85.68 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3227 158.080490112305 2836.72119140625 81.76 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3228 194.032562255859 3469.51000976562 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3229 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3230 RECORD_TITLE: MZ:194.0325 | RT:45.5 | grpid:136 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3231 MS$FOCUSED_ION: PRECURSOR_M/Z 194.032531738281 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3232 AC$CHROMATOGRAPHY: RETENTION_TIME 45.5280288 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3233 XCMS groupid (grpid): 136 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3234 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3235 PK$NUM_PEAK: 5 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3236 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3237 125.504974365234 2372.77172851562 68.39 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3238 141.887588500977 2384.751953125 68.73 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3239 146.027267456055 2972.51196289062 85.68 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3240 158.080490112305 2836.72119140625 81.76 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3241 194.032562255859 3469.51000976562 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3242 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3243 RECORD_TITLE: MZ:200.0405 | RT:43.9 | grpid:143 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3244 MS$FOCUSED_ION: PRECURSOR_M/Z 200.040481567383 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3245 AC$CHROMATOGRAPHY: RETENTION_TIME 43.9150368 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3246 XCMS groupid (grpid): 143 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3247 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3248 PK$NUM_PEAK: 13 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3249 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3250 117.042617797852 6342.0810546875 0.31 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3251 117.987678527832 68211.828125 3.37 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3252 127.032531738281 20582.015625 1.02 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3253 132.053359985352 35976.1640625 1.77 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3254 140.995040893555 30093.7421875 1.48 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3255 142.598937988281 2839.74487304688 0.14 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3256 146.361755371094 2998.41796875 0.15 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3257 154.035003662109 13444.572265625 0.66 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3258 155.018844604492 3944.63305664062 0.19 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3259 182.029312133789 6210.8779296875 0.31 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3260 183.013916015625 4510.1396484375 0.22 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3261 200.040573120117 2027070.25 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3262 207.421112060547 3210.24487304688 0.16 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3263 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3264 RECORD_TITLE: MZ:200.0405 | RT:43.9 | grpid:143 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3265 MS$FOCUSED_ION: PRECURSOR_M/Z 200.040481567383 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3266 AC$CHROMATOGRAPHY: RETENTION_TIME 43.9150368 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3267 XCMS groupid (grpid): 143 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3268 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3269 PK$NUM_PEAK: 13 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3270 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3271 117.042617797852 6342.0810546875 0.31 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3272 117.987678527832 68211.828125 3.37 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3273 127.032531738281 20582.015625 1.02 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3274 132.053359985352 35976.1640625 1.77 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3275 140.995040893555 30093.7421875 1.48 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3276 142.598937988281 2839.74487304688 0.14 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3277 146.361755371094 2998.41796875 0.15 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3278 154.035003662109 13444.572265625 0.66 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3279 155.018844604492 3944.63305664062 0.19 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3280 182.029312133789 6210.8779296875 0.31 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3281 183.013916015625 4510.1396484375 0.22 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3282 200.040573120117 2027070.25 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3283 207.421112060547 3210.24487304688 0.16 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3284 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3285 RECORD_TITLE: MZ:200.0405 | RT:44.1 | grpid:143 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3286 MS$FOCUSED_ION: PRECURSOR_M/Z 200.040496826172 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3287 AC$CHROMATOGRAPHY: RETENTION_TIME 44.0806488 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3288 XCMS groupid (grpid): 143 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3289 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3290 PK$NUM_PEAK: 12 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3291 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3292 112.010238647461 2995.43188476562 0.14 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3293 117.042633056641 5056.5439453125 0.24 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3294 117.987663269043 71179.4375 3.38 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3295 123.095741271973 2928.32397460938 0.14 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3296 127.032501220703 4841.11767578125 0.23 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3297 132.053314208984 40222.88671875 1.91 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3298 140.045013427734 2847.90087890625 0.14 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3299 140.994918823242 43853.734375 2.08 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3300 154.035140991211 12319.0732421875 0.58 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3301 182.029663085938 4039.810546875 0.19 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3302 183.013336181641 3542.32104492188 0.17 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3303 200.040573120117 2105842.25 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3304 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3305 RECORD_TITLE: MZ:200.0405 | RT:44.1 | grpid:143 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3306 MS$FOCUSED_ION: PRECURSOR_M/Z 200.040496826172 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3307 AC$CHROMATOGRAPHY: RETENTION_TIME 44.0806488 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3308 XCMS groupid (grpid): 143 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3309 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3310 PK$NUM_PEAK: 12 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3311 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3312 112.010238647461 2995.43188476562 0.14 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3313 117.042633056641 5056.5439453125 0.24 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3314 117.987663269043 71179.4375 3.38 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3315 123.095741271973 2928.32397460938 0.14 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3316 127.032501220703 4841.11767578125 0.23 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3317 132.053314208984 40222.88671875 1.91 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3318 140.045013427734 2847.90087890625 0.14 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3319 140.994918823242 43853.734375 2.08 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3320 154.035140991211 12319.0732421875 0.58 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3321 182.029663085938 4039.810546875 0.19 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3322 183.013336181641 3542.32104492188 0.17 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3323 200.040573120117 2105842.25 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3324 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3325 RECORD_TITLE: MZ:203.1388 | RT:72 | grpid:150 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3326 MS$FOCUSED_ION: PRECURSOR_M/Z 203.138809204102 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3327 AC$CHROMATOGRAPHY: RETENTION_TIME 72.006432 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3328 XCMS groupid (grpid): 150 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3329 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3330 PK$NUM_PEAK: 9 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3331 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3332 116.071075439453 28803.224609375 60.28 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3333 119.019195556641 2770.42236328125 5.8 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3334 125.07137298584 5385.11376953125 11.27 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3335 138.387115478516 2774.31958007812 5.81 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3336 157.134216308594 3315.12451171875 6.94 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3337 158.128875732422 15111.2236328125 31.63 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3338 161.096771240234 6781.66259765625 14.19 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3339 203.139312744141 47779.91796875 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3340 203.152862548828 19752.5390625 41.34 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3341 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3342 RECORD_TITLE: MZ:203.1388 | RT:72 | grpid:150 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3343 MS$FOCUSED_ION: PRECURSOR_M/Z 203.138809204102 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3344 AC$CHROMATOGRAPHY: RETENTION_TIME 72.006432 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3345 XCMS groupid (grpid): 150 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3346 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3347 PK$NUM_PEAK: 9 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3348 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3349 116.071075439453 28803.224609375 60.28 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3350 119.019195556641 2770.42236328125 5.8 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3351 125.07137298584 5385.11376953125 11.27 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3352 138.387115478516 2774.31958007812 5.81 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3353 157.134216308594 3315.12451171875 6.94 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3354 158.128875732422 15111.2236328125 31.63 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3355 161.096771240234 6781.66259765625 14.19 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3356 203.139312744141 47779.91796875 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3357 203.152862548828 19752.5390625 41.34 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3358 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3359 RECORD_TITLE: MZ:203.1388 | RT:72 | grpid:150 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3360 MS$FOCUSED_ION: PRECURSOR_M/Z 203.13883972168 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3361 AC$CHROMATOGRAPHY: RETENTION_TIME 72.006432 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3362 XCMS groupid (grpid): 150 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3363 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3364 PK$NUM_PEAK: 11 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3365 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3366 116.071235656738 12503.8623046875 3.04 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3367 130.085556030273 6449.21875 1.57 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3368 132.101974487305 411630.5 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3369 140.106964111328 22111.2734375 5.37 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3370 157.133712768555 99102.875 24.08 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3371 170.445693969727 5899.7978515625 1.43 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3372 185.7109375 6658.5439453125 1.62 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3373 203.111068725586 10820.138671875 2.63 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3374 203.120208740234 7331.47412109375 1.78 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3375 203.138000488281 101691.2578125 24.7 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3376 204.817932128906 6029.38134765625 1.46 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3377 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3378 RECORD_TITLE: MZ:203.1388 | RT:72 | grpid:150 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3379 MS$FOCUSED_ION: PRECURSOR_M/Z 203.13883972168 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3380 AC$CHROMATOGRAPHY: RETENTION_TIME 72.006432 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3381 XCMS groupid (grpid): 150 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3382 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3383 PK$NUM_PEAK: 11 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3384 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3385 116.071235656738 12503.8623046875 3.04 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3386 130.085556030273 6449.21875 1.57 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3387 132.101974487305 411630.5 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3388 140.106964111328 22111.2734375 5.37 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3389 157.133712768555 99102.875 24.08 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3390 170.445693969727 5899.7978515625 1.43 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3391 185.7109375 6658.5439453125 1.62 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3392 203.111068725586 10820.138671875 2.63 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3393 203.120208740234 7331.47412109375 1.78 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3394 203.138000488281 101691.2578125 24.7 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3395 204.817932128906 6029.38134765625 1.46 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3396 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3397 RECORD_TITLE: MZ:203.1389 | RT:72.2 | grpid:150 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3398 MS$FOCUSED_ION: PRECURSOR_M/Z 203.138854980469 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3399 AC$CHROMATOGRAPHY: RETENTION_TIME 72.171048 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3400 XCMS groupid (grpid): 150 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3401 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3402 PK$NUM_PEAK: 9 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3403 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3404 116.071044921875 37608.42578125 75.04 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3405 125.071907043457 3196.5478515625 6.38 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3406 133.09797668457 4579.9912109375 9.14 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3407 157.133407592773 3082.34008789062 6.15 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3408 158.128295898438 11883.36328125 23.71 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3409 161.095993041992 11680.013671875 23.31 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3410 203.105590820312 6029.6064453125 12.03 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3411 203.135681152344 50118 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3412 203.152633666992 15789.306640625 31.5 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3413 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3414 RECORD_TITLE: MZ:203.1389 | RT:72.2 | grpid:150 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3415 MS$FOCUSED_ION: PRECURSOR_M/Z 203.138854980469 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3416 AC$CHROMATOGRAPHY: RETENTION_TIME 72.171048 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3417 XCMS groupid (grpid): 150 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3418 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3419 PK$NUM_PEAK: 9 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3420 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3421 116.071044921875 37608.42578125 75.04 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3422 125.071907043457 3196.5478515625 6.38 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3423 133.09797668457 4579.9912109375 9.14 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3424 157.133407592773 3082.34008789062 6.15 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3425 158.128295898438 11883.36328125 23.71 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3426 161.095993041992 11680.013671875 23.31 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3427 203.105590820312 6029.6064453125 12.03 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3428 203.135681152344 50118 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3429 203.152633666992 15789.306640625 31.5 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3430 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3431 RECORD_TITLE: MZ:203.1388 | RT:72.2 | grpid:150 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3432 MS$FOCUSED_ION: PRECURSOR_M/Z 203.138793945312 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3433 AC$CHROMATOGRAPHY: RETENTION_TIME 72.171048 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3434 XCMS groupid (grpid): 150 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3435 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3436 PK$NUM_PEAK: 10 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3437 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3438 110.816787719727 6078.2109375 1.77 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3439 110.913383483887 5809.0341796875 1.69 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3440 116.07071685791 9309.0751953125 2.71 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3441 132.101974487305 343618 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3442 140.107208251953 25047.279296875 7.29 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3443 157.133499145508 110757.7578125 32.23 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3444 161.096633911133 10988.53515625 3.2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3445 203.110626220703 8525.052734375 2.48 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3446 203.137939453125 117729.3359375 34.26 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3447 211.507141113281 6815.84912109375 1.98 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3448 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3449 RECORD_TITLE: MZ:203.1388 | RT:72.2 | grpid:150 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3450 MS$FOCUSED_ION: PRECURSOR_M/Z 203.138793945312 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3451 AC$CHROMATOGRAPHY: RETENTION_TIME 72.171048 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3452 XCMS groupid (grpid): 150 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3453 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3454 PK$NUM_PEAK: 10 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3455 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3456 110.816787719727 6078.2109375 1.77 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3457 110.913383483887 5809.0341796875 1.69 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3458 116.07071685791 9309.0751953125 2.71 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3459 132.101974487305 343618 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3460 140.107208251953 25047.279296875 7.29 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3461 157.133499145508 110757.7578125 32.23 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3462 161.096633911133 10988.53515625 3.2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3463 203.110626220703 8525.052734375 2.48 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3464 203.137939453125 117729.3359375 34.26 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3465 211.507141113281 6815.84912109375 1.98 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3466 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3467 RECORD_TITLE: MZ:203.1389 | RT:72.2 | grpid:150 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3468 MS$FOCUSED_ION: PRECURSOR_M/Z 203.138854980469 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3469 AC$CHROMATOGRAPHY: RETENTION_TIME 72.171048 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3470 XCMS groupid (grpid): 150 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3471 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3472 PK$NUM_PEAK: 9 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3473 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3474 103.739540100098 2113.5478515625 3.41 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3475 116.07096862793 14099.0009765625 22.78 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3476 119.018844604492 3672.51025390625 5.93 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3477 132.102035522461 61903.03125 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3478 157.133651733398 13804.431640625 22.3 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3479 161.095993041992 5141.3759765625 8.31 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3480 172.99494934082 2935.828125 4.74 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3481 203.152069091797 2885.97534179688 4.66 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3482 203.184020996094 3411.0810546875 5.51 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3483 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3484 RECORD_TITLE: MZ:203.1389 | RT:72.2 | grpid:150 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3485 MS$FOCUSED_ION: PRECURSOR_M/Z 203.138854980469 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3486 AC$CHROMATOGRAPHY: RETENTION_TIME 72.171048 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3487 XCMS groupid (grpid): 150 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3488 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3489 PK$NUM_PEAK: 9 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3490 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3491 103.739540100098 2113.5478515625 3.41 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3492 116.07096862793 14099.0009765625 22.78 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3493 119.018844604492 3672.51025390625 5.93 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3494 132.102035522461 61903.03125 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3495 157.133651733398 13804.431640625 22.3 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3496 161.095993041992 5141.3759765625 8.31 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3497 172.99494934082 2935.828125 4.74 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3498 203.152069091797 2885.97534179688 4.66 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3499 203.184020996094 3411.0810546875 5.51 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3500 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3501 RECORD_TITLE: MZ:204.1228 | RT:56.8 | grpid:152 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3502 MS$FOCUSED_ION: PRECURSOR_M/Z 204.122802734375 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3503 AC$CHROMATOGRAPHY: RETENTION_TIME 56.7980382 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3504 XCMS groupid (grpid): 152 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3505 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3506 PK$NUM_PEAK: 18 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3507 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3508 103.039390563965 2626.12426757812 0.95 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3509 106.385429382324 2630.47265625 0.96 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3510 109.029167175293 4650.36474609375 1.69 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3511 114.055358886719 3802.81860351562 1.38 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3512 116.070892333984 49017.65625 17.8 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3513 117.067512512207 3875.06005859375 1.41 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3514 117.074249267578 73425.046875 26.67 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3515 126.055229187012 54120.14453125 19.66 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3516 126.42317199707 2332.49584960938 0.85 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3517 138.055023193359 77949.046875 28.31 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3518 144.065963745117 31537.21484375 11.45 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3519 144.101928710938 43630.27734375 15.85 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3520 145.04963684082 107963.640625 39.21 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3521 162.075897216797 3156.48168945312 1.15 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3522 168.065872192383 5381.61962890625 1.95 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3523 204.106567382812 15382.0947265625 5.59 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3524 204.123031616211 275347.34375 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3525 204.139114379883 14696.998046875 5.34 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3526 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3527 RECORD_TITLE: MZ:204.1228 | RT:56.8 | grpid:152 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3528 MS$FOCUSED_ION: PRECURSOR_M/Z 204.122802734375 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3529 AC$CHROMATOGRAPHY: RETENTION_TIME 56.7980382 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3530 XCMS groupid (grpid): 152 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3531 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3532 PK$NUM_PEAK: 18 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3533 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3534 103.039390563965 2626.12426757812 0.95 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3535 106.385429382324 2630.47265625 0.96 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3536 109.029167175293 4650.36474609375 1.69 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3537 114.055358886719 3802.81860351562 1.38 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3538 116.070892333984 49017.65625 17.8 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3539 117.067512512207 3875.06005859375 1.41 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3540 117.074249267578 73425.046875 26.67 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3541 126.055229187012 54120.14453125 19.66 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3542 126.42317199707 2332.49584960938 0.85 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3543 138.055023193359 77949.046875 28.31 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3544 144.065963745117 31537.21484375 11.45 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3545 144.101928710938 43630.27734375 15.85 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3546 145.04963684082 107963.640625 39.21 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3547 162.075897216797 3156.48168945312 1.15 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3548 168.065872192383 5381.61962890625 1.95 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3549 204.106567382812 15382.0947265625 5.59 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3550 204.123031616211 275347.34375 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3551 204.139114379883 14696.998046875 5.34 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3552 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3553 RECORD_TITLE: MZ:204.1228 | RT:56.8 | grpid:152 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3554 MS$FOCUSED_ION: PRECURSOR_M/Z 204.122817993164 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3555 AC$CHROMATOGRAPHY: RETENTION_TIME 56.7980382 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3556 XCMS groupid (grpid): 152 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3557 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3558 PK$NUM_PEAK: 14 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3559 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3560 103.039367675781 21870.412109375 0.83 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3561 109.028549194336 4337.9482421875 0.17 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3562 116.070777893066 54983.8125 2.09 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3563 116.368270874023 4259.67236328125 0.16 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3564 117.066917419434 6714.4765625 0.26 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3565 117.074279785156 79324.390625 3.02 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3566 126.054985046387 55148.140625 2.1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3567 129.078247070312 30434.8671875 1.16 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3568 138.0546875 57503.59765625 2.19 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3569 144.065399169922 16610.201171875 0.63 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3570 144.101837158203 389983.375 14.84 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3571 145.049468994141 1150196 43.76 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3572 186.09455871582 4524.0029296875 0.17 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3573 204.122924804688 2628368.75 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3574 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3575 RECORD_TITLE: MZ:204.1228 | RT:56.8 | grpid:152 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3576 MS$FOCUSED_ION: PRECURSOR_M/Z 204.122817993164 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3577 AC$CHROMATOGRAPHY: RETENTION_TIME 56.7980382 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3578 XCMS groupid (grpid): 152 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3579 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3580 PK$NUM_PEAK: 14 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3581 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3582 103.039367675781 21870.412109375 0.83 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3583 109.028549194336 4337.9482421875 0.17 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3584 116.070777893066 54983.8125 2.09 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3585 116.368270874023 4259.67236328125 0.16 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3586 117.066917419434 6714.4765625 0.26 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3587 117.074279785156 79324.390625 3.02 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3588 126.054985046387 55148.140625 2.1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3589 129.078247070312 30434.8671875 1.16 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3590 138.0546875 57503.59765625 2.19 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3591 144.065399169922 16610.201171875 0.63 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3592 144.101837158203 389983.375 14.84 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3593 145.049468994141 1150196 43.76 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3594 186.09455871582 4524.0029296875 0.17 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3595 204.122924804688 2628368.75 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3596 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3597 RECORD_TITLE: MZ:204.1228 | RT:56.8 | grpid:152 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3598 MS$FOCUSED_ION: PRECURSOR_M/Z 204.122848510742 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3599 AC$CHROMATOGRAPHY: RETENTION_TIME 56.7980382 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3600 XCMS groupid (grpid): 152 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3601 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3602 PK$NUM_PEAK: 11 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3603 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3604 103.039352416992 4378.82373046875 0.71 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3605 117.07398223877 3667.59252929688 0.59 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3606 124.087196350098 21105.763671875 3.42 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3607 126.054992675781 28587.548828125 4.63 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3608 138.054794311523 49302.3515625 7.99 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3609 144.065551757812 15536.2451171875 2.52 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3610 144.101791381836 81904.890625 13.28 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3611 145.049530029297 242301.34375 39.28 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3612 156.445175170898 3308.63256835938 0.54 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3613 162.076110839844 5740.85400390625 0.93 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3614 204.122970581055 616905.6875 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3615 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3616 RECORD_TITLE: MZ:204.1228 | RT:56.8 | grpid:152 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3617 MS$FOCUSED_ION: PRECURSOR_M/Z 204.122848510742 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3618 AC$CHROMATOGRAPHY: RETENTION_TIME 56.7980382 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3619 XCMS groupid (grpid): 152 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3620 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3621 PK$NUM_PEAK: 11 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3622 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3623 103.039352416992 4378.82373046875 0.71 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3624 117.07398223877 3667.59252929688 0.59 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3625 124.087196350098 21105.763671875 3.42 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3626 126.054992675781 28587.548828125 4.63 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3627 138.054794311523 49302.3515625 7.99 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3628 144.065551757812 15536.2451171875 2.52 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3629 144.101791381836 81904.890625 13.28 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3630 145.049530029297 242301.34375 39.28 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3631 156.445175170898 3308.63256835938 0.54 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3632 162.076110839844 5740.85400390625 0.93 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3633 204.122970581055 616905.6875 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3634 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3635 RECORD_TITLE: MZ:204.1228 | RT:56.9 | grpid:152 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3636 MS$FOCUSED_ION: PRECURSOR_M/Z 204.122817993164 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3637 AC$CHROMATOGRAPHY: RETENTION_TIME 56.9384052 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3638 XCMS groupid (grpid): 152 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3639 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3640 PK$NUM_PEAK: 11 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3641 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3642 103.039604187012 44728.91015625 0.48 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3643 103.384941101074 28550.306640625 0.31 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3644 113.250282287598 26210.8046875 0.28 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3645 117.074279785156 42779.11328125 0.46 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3646 126.05517578125 106649.859375 1.14 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3647 129.07829284668 98631.4765625 1.06 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3648 144.090408325195 25124.802734375 0.27 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3649 144.101928710938 1344056.125 14.39 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3650 145.049514770508 4096653.75 43.86 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3651 173.963897705078 26845.693359375 0.29 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3652 204.123001098633 9339472 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3653 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3654 RECORD_TITLE: MZ:204.1228 | RT:56.9 | grpid:152 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3655 MS$FOCUSED_ION: PRECURSOR_M/Z 204.122817993164 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3656 AC$CHROMATOGRAPHY: RETENTION_TIME 56.9384052 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3657 XCMS groupid (grpid): 152 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3658 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3659 PK$NUM_PEAK: 11 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3660 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3661 103.039604187012 44728.91015625 0.48 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3662 103.384941101074 28550.306640625 0.31 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3663 113.250282287598 26210.8046875 0.28 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3664 117.074279785156 42779.11328125 0.46 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3665 126.05517578125 106649.859375 1.14 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3666 129.07829284668 98631.4765625 1.06 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3667 144.090408325195 25124.802734375 0.27 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3668 144.101928710938 1344056.125 14.39 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3669 145.049514770508 4096653.75 43.86 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3670 173.963897705078 26845.693359375 0.29 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3671 204.123001098633 9339472 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3672 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3673 RECORD_TITLE: MZ:204.1229 | RT:56.9 | grpid:152 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3674 MS$FOCUSED_ION: PRECURSOR_M/Z 204.122863769531 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3675 AC$CHROMATOGRAPHY: RETENTION_TIME 56.9384052 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3676 XCMS groupid (grpid): 152 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3677 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3678 PK$NUM_PEAK: 17 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3679 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3680 101.024070739746 2549.65844726562 1.04 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3681 109.028610229492 9569.9111328125 3.9 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3682 110.023971557617 2709.85107421875 1.1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3683 124.08716583252 16795.25390625 6.85 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3684 125.880447387695 2691.83837890625 1.1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3685 126.055145263672 66347.6875 27.04 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3686 127.039108276367 3200.34375 1.3 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3687 138.054977416992 177051.46875 72.16 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3688 144.065414428711 56831.3046875 23.16 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3689 144.101654052734 37562.9140625 15.31 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3690 145.037979125977 4413.583984375 1.8 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3691 145.049453735352 117891.3359375 48.05 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3692 145.060363769531 5262.61083984375 2.14 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3693 168.065170288086 16167.7177734375 6.59 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3694 186.075775146484 5275.0185546875 2.15 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3695 186.56770324707 2513.05346679688 1.02 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3696 204.122970581055 245349.390625 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3697 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3698 RECORD_TITLE: MZ:204.1229 | RT:56.9 | grpid:152 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3699 MS$FOCUSED_ION: PRECURSOR_M/Z 204.122863769531 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3700 AC$CHROMATOGRAPHY: RETENTION_TIME 56.9384052 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3701 XCMS groupid (grpid): 152 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3702 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3703 PK$NUM_PEAK: 17 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3704 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3705 101.024070739746 2549.65844726562 1.04 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3706 109.028610229492 9569.9111328125 3.9 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3707 110.023971557617 2709.85107421875 1.1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3708 124.08716583252 16795.25390625 6.85 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3709 125.880447387695 2691.83837890625 1.1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3710 126.055145263672 66347.6875 27.04 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3711 127.039108276367 3200.34375 1.3 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3712 138.054977416992 177051.46875 72.16 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3713 144.065414428711 56831.3046875 23.16 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3714 144.101654052734 37562.9140625 15.31 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3715 145.037979125977 4413.583984375 1.8 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3716 145.049453735352 117891.3359375 48.05 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3717 145.060363769531 5262.61083984375 2.14 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3718 168.065170288086 16167.7177734375 6.59 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3719 186.075775146484 5275.0185546875 2.15 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3720 186.56770324707 2513.05346679688 1.02 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3721 204.122970581055 245349.390625 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3722 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3723 RECORD_TITLE: MZ:207.0141 | RT:41.8 | grpid:158 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3724 MS$FOCUSED_ION: PRECURSOR_M/Z 207.014144897461 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3725 AC$CHROMATOGRAPHY: RETENTION_TIME 41.826645 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3726 XCMS groupid (grpid): 158 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3727 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3728 PK$NUM_PEAK: 19 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3729 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3730 102.055213928223 14664.9248046875 10.68 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3731 104.992233276367 2625.12451171875 1.91 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3732 120.00316619873 3167.53002929688 2.31 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3733 120.065727233887 39810.953125 28.98 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3734 125.714157104492 2278.95581054688 1.66 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3735 125.770439147949 2413.32568359375 1.76 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3736 130.049896240234 9405.2138671875 6.85 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3737 145.133407592773 2169.822265625 1.58 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3738 146.981994628906 18833.076171875 13.71 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3739 147.985076904297 12737.52734375 9.27 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3740 149.018768310547 3681.16088867188 2.68 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3741 169.94026184082 2372.8515625 1.73 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3742 177.024551391602 9060.5927734375 6.6 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3743 189.087188720703 11364.271484375 8.27 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3744 207.014282226562 137352.125 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3745 207.034118652344 5699.5263671875 4.15 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3746 207.052230834961 15843.6455078125 11.54 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3747 207.098617553711 2919.48852539062 2.13 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3748 207.174377441406 3961.92211914062 2.88 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3749 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3750 RECORD_TITLE: MZ:207.0141 | RT:41.8 | grpid:158 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3751 MS$FOCUSED_ION: PRECURSOR_M/Z 207.014144897461 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3752 AC$CHROMATOGRAPHY: RETENTION_TIME 41.826645 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3753 XCMS groupid (grpid): 158 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3754 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3755 PK$NUM_PEAK: 19 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3756 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3757 102.055213928223 14664.9248046875 10.68 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3758 104.992233276367 2625.12451171875 1.91 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3759 120.00316619873 3167.53002929688 2.31 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3760 120.065727233887 39810.953125 28.98 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3761 125.714157104492 2278.95581054688 1.66 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3762 125.770439147949 2413.32568359375 1.76 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3763 130.049896240234 9405.2138671875 6.85 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3764 145.133407592773 2169.822265625 1.58 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3765 146.981994628906 18833.076171875 13.71 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3766 147.985076904297 12737.52734375 9.27 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3767 149.018768310547 3681.16088867188 2.68 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3768 169.94026184082 2372.8515625 1.73 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3769 177.024551391602 9060.5927734375 6.6 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3770 189.087188720703 11364.271484375 8.27 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3771 207.014282226562 137352.125 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3772 207.034118652344 5699.5263671875 4.15 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3773 207.052230834961 15843.6455078125 11.54 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3774 207.098617553711 2919.48852539062 2.13 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3775 207.174377441406 3961.92211914062 2.88 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3776 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3777 RECORD_TITLE: MZ:214.0642 | RT:55.4 | grpid:172 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3778 MS$FOCUSED_ION: PRECURSOR_M/Z 214.064239501953 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3779 AC$CHROMATOGRAPHY: RETENTION_TIME 55.4140188 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3780 XCMS groupid (grpid): 172 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3781 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3782 PK$NUM_PEAK: 14 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3783 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3784 100.022003173828 18210.814453125 0.48 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3785 112.021865844727 105520.359375 2.8 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3786 112.029098510742 4534.3564453125 0.12 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3787 127.032608032227 3771385.25 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3788 129.048873901367 9994.1298828125 0.26 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3789 137.094848632812 40517.13671875 1.07 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3790 139.032440185547 14027.0390625 0.37 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3791 141.000549316406 32761.166015625 0.87 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3792 141.048263549805 10484.16796875 0.28 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3793 158.02702331543 16497.7265625 0.44 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3794 170.074661254883 55442.0390625 1.47 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3795 197.064270019531 5371.8564453125 0.14 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3796 197.093124389648 3679.029296875 0.1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3797 214.064468383789 307880.84375 8.16 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3798 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3799 RECORD_TITLE: MZ:214.0642 | RT:55.4 | grpid:172 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3800 MS$FOCUSED_ION: PRECURSOR_M/Z 214.064239501953 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3801 AC$CHROMATOGRAPHY: RETENTION_TIME 55.4140188 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3802 XCMS groupid (grpid): 172 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3803 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3804 PK$NUM_PEAK: 14 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3805 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3806 100.022003173828 18210.814453125 0.48 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3807 112.021865844727 105520.359375 2.8 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3808 112.029098510742 4534.3564453125 0.12 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3809 127.032608032227 3771385.25 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3810 129.048873901367 9994.1298828125 0.26 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3811 137.094848632812 40517.13671875 1.07 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3812 139.032440185547 14027.0390625 0.37 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3813 141.000549316406 32761.166015625 0.87 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3814 141.048263549805 10484.16796875 0.28 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3815 158.02702331543 16497.7265625 0.44 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3816 170.074661254883 55442.0390625 1.47 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3817 197.064270019531 5371.8564453125 0.14 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3818 197.093124389648 3679.029296875 0.1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3819 214.064468383789 307880.84375 8.16 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3820 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3821 RECORD_TITLE: MZ:218.1385 | RT:89.6 | grpid:180 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3822 MS$FOCUSED_ION: PRECURSOR_M/Z 218.13850402832 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3823 AC$CHROMATOGRAPHY: RETENTION_TIME 89.6403 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3824 XCMS groupid (grpid): 180 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3825 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3826 PK$NUM_PEAK: 7 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3827 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3828 114.196754455566 2545.52612304688 48.44 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3829 115.673034667969 2175.73876953125 41.4 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3830 129.055801391602 2261.02172851562 43.02 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3831 132.102081298828 5255.5224609375 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3832 159.066177368164 2765.712890625 52.62 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3833 212.81819152832 2699.35546875 51.36 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3834 218.139175415039 3092.53271484375 58.84 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3835 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3836 RECORD_TITLE: MZ:218.1385 | RT:89.6 | grpid:180 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3837 MS$FOCUSED_ION: PRECURSOR_M/Z 218.13850402832 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3838 AC$CHROMATOGRAPHY: RETENTION_TIME 89.6403 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3839 XCMS groupid (grpid): 180 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3840 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3841 PK$NUM_PEAK: 7 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3842 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3843 114.196754455566 2545.52612304688 48.44 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3844 115.673034667969 2175.73876953125 41.4 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3845 129.055801391602 2261.02172851562 43.02 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3846 132.102081298828 5255.5224609375 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3847 159.066177368164 2765.712890625 52.62 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3848 212.81819152832 2699.35546875 51.36 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3849 218.139175415039 3092.53271484375 58.84 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3850 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3851 RECORD_TITLE: MZ:218.1385 | RT:89.6 | grpid:180 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3852 MS$FOCUSED_ION: PRECURSOR_M/Z 218.138473510742 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3853 AC$CHROMATOGRAPHY: RETENTION_TIME 89.6403 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3854 XCMS groupid (grpid): 180 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3855 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3856 PK$NUM_PEAK: 9 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3857 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3858 107.803031921387 3178.51293945312 0.64 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3859 118.970710754395 4064.91455078125 0.82 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3860 122.573120117188 3604.3974609375 0.73 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3861 122.841018676758 3260.1611328125 0.66 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3862 144.101852416992 75870.515625 15.38 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3863 159.065231323242 283091.5 57.4 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3864 161.370590209961 3884.79516601562 0.79 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3865 185.185729980469 3402.84643554688 0.69 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3866 218.138641357422 493206.28125 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3867 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3868 RECORD_TITLE: MZ:218.1385 | RT:89.6 | grpid:180 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3869 MS$FOCUSED_ION: PRECURSOR_M/Z 218.138473510742 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3870 AC$CHROMATOGRAPHY: RETENTION_TIME 89.6403 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3871 XCMS groupid (grpid): 180 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3872 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3873 PK$NUM_PEAK: 9 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3874 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3875 107.803031921387 3178.51293945312 0.64 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3876 118.970710754395 4064.91455078125 0.82 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3877 122.573120117188 3604.3974609375 0.73 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3878 122.841018676758 3260.1611328125 0.66 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3879 144.101852416992 75870.515625 15.38 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3880 159.065231323242 283091.5 57.4 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3881 161.370590209961 3884.79516601562 0.79 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3882 185.185729980469 3402.84643554688 0.69 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3883 218.138641357422 493206.28125 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3884 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3885 RECORD_TITLE: MZ:218.1385 | RT:89.6 | grpid:180 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3886 MS$FOCUSED_ION: PRECURSOR_M/Z 218.138488769531 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3887 AC$CHROMATOGRAPHY: RETENTION_TIME 89.6403 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3888 XCMS groupid (grpid): 180 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3889 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3890 PK$NUM_PEAK: 8 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3891 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3892 102.753799438477 2581.81909179688 14.41 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3893 117.332885742188 2623.33911132812 14.64 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3894 121.065040588379 17920.083984375 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3895 147.064270019531 2649.68701171875 14.79 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3896 159.066253662109 3710.74462890625 20.71 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3897 175.033752441406 2445.95654296875 13.65 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3898 201.022094726562 4046.00170898438 22.58 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3899 218.138198852539 8636.0166015625 48.19 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3900 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3901 RECORD_TITLE: MZ:218.1385 | RT:89.6 | grpid:180 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3902 MS$FOCUSED_ION: PRECURSOR_M/Z 218.138488769531 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3903 AC$CHROMATOGRAPHY: RETENTION_TIME 89.6403 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3904 XCMS groupid (grpid): 180 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3905 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3906 PK$NUM_PEAK: 8 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3907 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3908 102.753799438477 2581.81909179688 14.41 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3909 117.332885742188 2623.33911132812 14.64 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3910 121.065040588379 17920.083984375 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3911 147.064270019531 2649.68701171875 14.79 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3912 159.066253662109 3710.74462890625 20.71 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3913 175.033752441406 2445.95654296875 13.65 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3914 201.022094726562 4046.00170898438 22.58 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3915 218.138198852539 8636.0166015625 48.19 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3916 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3917 RECORD_TITLE: MZ:218.1384 | RT:89.8 | grpid:180 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3918 MS$FOCUSED_ION: PRECURSOR_M/Z 218.138366699219 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3919 AC$CHROMATOGRAPHY: RETENTION_TIME 89.831544 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3920 XCMS groupid (grpid): 180 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3921 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3922 PK$NUM_PEAK: 12 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3923 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3924 103.819732666016 2238.61181640625 20.27 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3925 111.044364929199 2661.66918945312 24.1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3926 115.333137512207 2948.8173828125 26.71 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3927 122.399108886719 2382.97534179688 21.58 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3928 126.919021606445 2917.90112304688 26.43 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3929 129.05485534668 2796.9111328125 25.33 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3930 130.973602294922 2337.80029296875 21.17 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3931 132.102554321289 11042.03515625 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3932 173.128204345703 2997.58325195312 27.15 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3933 218.139312744141 3500.55224609375 31.7 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3934 228.109329223633 2880.83715820312 26.09 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3935 235.270477294922 2572.39428710938 23.3 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3936 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3937 RECORD_TITLE: MZ:218.1384 | RT:89.8 | grpid:180 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3938 MS$FOCUSED_ION: PRECURSOR_M/Z 218.138366699219 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3939 AC$CHROMATOGRAPHY: RETENTION_TIME 89.831544 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3940 XCMS groupid (grpid): 180 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3941 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3942 PK$NUM_PEAK: 12 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3943 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3944 103.819732666016 2238.61181640625 20.27 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3945 111.044364929199 2661.66918945312 24.1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3946 115.333137512207 2948.8173828125 26.71 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3947 122.399108886719 2382.97534179688 21.58 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3948 126.919021606445 2917.90112304688 26.43 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3949 129.05485534668 2796.9111328125 25.33 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3950 130.973602294922 2337.80029296875 21.17 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3951 132.102554321289 11042.03515625 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3952 173.128204345703 2997.58325195312 27.15 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3953 218.139312744141 3500.55224609375 31.7 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3954 228.109329223633 2880.83715820312 26.09 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3955 235.270477294922 2572.39428710938 23.3 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3956 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3957 RECORD_TITLE: MZ:218.1385 | RT:89.8 | grpid:180 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3958 MS$FOCUSED_ION: PRECURSOR_M/Z 218.138458251953 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3959 AC$CHROMATOGRAPHY: RETENTION_TIME 89.831544 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3960 XCMS groupid (grpid): 180 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3961 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3962 PK$NUM_PEAK: 7 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3963 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3964 134.753372192383 3845.90234375 0.73 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3965 144.101928710938 78533.609375 14.94 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3966 159.065155029297 285395.5 54.31 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3967 175.136749267578 3432.48364257812 0.65 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3968 210.694976806641 3835.62744140625 0.73 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3969 218.07666015625 8092.6728515625 1.54 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3970 218.138702392578 525536.25 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3971 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3972 RECORD_TITLE: MZ:218.1385 | RT:89.8 | grpid:180 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3973 MS$FOCUSED_ION: PRECURSOR_M/Z 218.138458251953 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3974 AC$CHROMATOGRAPHY: RETENTION_TIME 89.831544 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3975 XCMS groupid (grpid): 180 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3976 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3977 PK$NUM_PEAK: 7 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3978 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3979 134.753372192383 3845.90234375 0.73 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3980 144.101928710938 78533.609375 14.94 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3981 159.065155029297 285395.5 54.31 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3982 175.136749267578 3432.48364257812 0.65 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3983 210.694976806641 3835.62744140625 0.73 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3984 218.07666015625 8092.6728515625 1.54 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3985 218.138702392578 525536.25 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3986 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3987 RECORD_TITLE: MZ:218.1385 | RT:89.8 | grpid:180 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3988 MS$FOCUSED_ION: PRECURSOR_M/Z 218.13850402832 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3989 AC$CHROMATOGRAPHY: RETENTION_TIME 89.831544 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3990 XCMS groupid (grpid): 180 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3991 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3992 PK$NUM_PEAK: 7 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3993 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3994 104.22509765625 2301.33154296875 10.31 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3995 121.064811706543 22311.3984375 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3996 124.039810180664 3055.17749023438 13.69 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3997 129.054977416992 3811.71557617188 17.08 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3998 130.108779907227 2328.74780273438 10.44 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3999 218.138671875 14387.341796875 64.48 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4000 231.611038208008 2540.31982421875 11.39 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4001 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4002 RECORD_TITLE: MZ:218.1385 | RT:89.8 | grpid:180 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4003 MS$FOCUSED_ION: PRECURSOR_M/Z 218.13850402832 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4004 AC$CHROMATOGRAPHY: RETENTION_TIME 89.831544 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4005 XCMS groupid (grpid): 180 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4006 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4007 PK$NUM_PEAK: 7 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4008 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4009 104.22509765625 2301.33154296875 10.31 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4010 121.064811706543 22311.3984375 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4011 124.039810180664 3055.17749023438 13.69 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4012 129.054977416992 3811.71557617188 17.08 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4013 130.108779907227 2328.74780273438 10.44 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4014 218.138671875 14387.341796875 64.48 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4015 231.611038208008 2540.31982421875 11.39 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4016 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4017 RECORD_TITLE: MZ:219.1337 | RT:84.2 | grpid:182 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4018 MS$FOCUSED_ION: PRECURSOR_M/Z 219.133682250977 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4019 AC$CHROMATOGRAPHY: RETENTION_TIME 84.215802 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4020 XCMS groupid (grpid): 182 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4021 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4022 PK$NUM_PEAK: 17 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4023 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4024 117.065925598145 4331.37890625 0.21 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4025 119.085418701172 4587.7412109375 0.23 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4026 121.101333618164 5698.80517578125 0.28 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4027 126.091384887695 16064.4111328125 0.79 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4028 128.107162475586 102154.1328125 5.05 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4029 132.101928710938 2022611.75 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4030 133.101196289062 5687.90185546875 0.28 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4031 155.117919921875 24920.931640625 1.23 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4032 161.132385253906 6279.27978515625 0.31 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4033 172.096343994141 31113.580078125 1.54 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4034 173.128372192383 895054.375 44.25 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4035 180.904510498047 3674.49365234375 0.18 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4036 201.123245239258 130626.78125 6.46 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4037 202.754135131836 3789.76586914062 0.19 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4038 203.142944335938 95550.71875 4.72 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4039 219.133941650391 199327.734375 9.85 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4040 219.174087524414 297299.6875 14.7 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4041 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4042 RECORD_TITLE: MZ:219.1337 | RT:84.2 | grpid:182 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4043 MS$FOCUSED_ION: PRECURSOR_M/Z 219.133682250977 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4044 AC$CHROMATOGRAPHY: RETENTION_TIME 84.215802 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4045 XCMS groupid (grpid): 182 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4046 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4047 PK$NUM_PEAK: 17 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4048 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4049 117.065925598145 4331.37890625 0.21 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4050 119.085418701172 4587.7412109375 0.23 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4051 121.101333618164 5698.80517578125 0.28 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4052 126.091384887695 16064.4111328125 0.79 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4053 128.107162475586 102154.1328125 5.05 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4054 132.101928710938 2022611.75 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4055 133.101196289062 5687.90185546875 0.28 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4056 155.117919921875 24920.931640625 1.23 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4057 161.132385253906 6279.27978515625 0.31 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4058 172.096343994141 31113.580078125 1.54 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4059 173.128372192383 895054.375 44.25 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4060 180.904510498047 3674.49365234375 0.18 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4061 201.123245239258 130626.78125 6.46 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4062 202.754135131836 3789.76586914062 0.19 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4063 203.142944335938 95550.71875 4.72 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4064 219.133941650391 199327.734375 9.85 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4065 219.174087524414 297299.6875 14.7 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4066 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4067 RECORD_TITLE: MZ:219.1337 | RT:83.6 | grpid:182 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4068 MS$FOCUSED_ION: PRECURSOR_M/Z 219.133697509766 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4069 AC$CHROMATOGRAPHY: RETENTION_TIME 83.64567 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4070 XCMS groupid (grpid): 182 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4071 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4072 PK$NUM_PEAK: 17 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4073 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4074 105.063270568848 4203.001953125 0.18 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4075 110.096893310547 4522.54443359375 0.19 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4076 112.11270904541 5338.60205078125 0.23 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4077 116.986259460449 5649.759765625 0.24 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4078 117.06591796875 4515.78662109375 0.19 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4079 126.091438293457 20249.6015625 0.86 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4080 128.107208251953 120659.59375 5.12 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4081 132.101974487305 2357033.25 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4082 133.10124206543 5141.18505859375 0.22 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4083 155.117614746094 24253.45703125 1.03 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4084 172.097229003906 28655.04296875 1.22 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4085 173.128463745117 1074516.375 45.59 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4086 201.123107910156 142628.015625 6.05 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4087 203.142913818359 105523.640625 4.48 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4088 219.134048461914 212437.609375 9.01 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4089 219.174209594727 327119.375 13.88 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4090 222.249847412109 3721.74389648438 0.16 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4091 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4092 RECORD_TITLE: MZ:219.1337 | RT:83.6 | grpid:182 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4093 MS$FOCUSED_ION: PRECURSOR_M/Z 219.133697509766 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4094 AC$CHROMATOGRAPHY: RETENTION_TIME 83.64567 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4095 XCMS groupid (grpid): 182 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4096 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4097 PK$NUM_PEAK: 17 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4098 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4099 105.063270568848 4203.001953125 0.18 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4100 110.096893310547 4522.54443359375 0.19 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4101 112.11270904541 5338.60205078125 0.23 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4102 116.986259460449 5649.759765625 0.24 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4103 117.06591796875 4515.78662109375 0.19 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4104 126.091438293457 20249.6015625 0.86 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4105 128.107208251953 120659.59375 5.12 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4106 132.101974487305 2357033.25 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4107 133.10124206543 5141.18505859375 0.22 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4108 155.117614746094 24253.45703125 1.03 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4109 172.097229003906 28655.04296875 1.22 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4110 173.128463745117 1074516.375 45.59 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4111 201.123107910156 142628.015625 6.05 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4112 203.142913818359 105523.640625 4.48 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4113 219.134048461914 212437.609375 9.01 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4114 219.174209594727 327119.375 13.88 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4115 222.249847412109 3721.74389648438 0.16 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4116 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4117 RECORD_TITLE: MZ:227.1137 | RT:46.9 | grpid:199 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4118 MS$FOCUSED_ION: PRECURSOR_M/Z 227.113693237305 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4119 AC$CHROMATOGRAPHY: RETENTION_TIME 46.926273 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4120 XCMS groupid (grpid): 199 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4121 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4122 PK$NUM_PEAK: 28 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4123 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4124 109.063865661621 3976.69848632812 0.08 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4125 110.071578979492 5157183.5 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4126 111.055458068848 18864.41796875 0.37 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4127 112.087417602539 32219.046875 0.62 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4128 114.961769104004 4038.513671875 0.08 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4129 116.070892333984 7452.65673828125 0.14 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4130 120.884796142578 3409.80908203125 0.07 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4131 122.071441650391 747641 14.5 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4132 124.086860656738 4749.31494140625 0.09 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4133 134.071258544922 4929.89697265625 0.1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4134 136.087158203125 37337.6796875 0.72 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4135 138.065994262695 52444.08203125 1.02 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4136 146.071090698242 91415.3671875 1.77 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4137 148.086685180664 7030.39697265625 0.14 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4138 152.081817626953 272783.15625 5.29 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4139 156.076751708984 2114399.25 41 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4140 164.081802368164 667852.25 12.95 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4141 166.097290039062 5532.03466796875 0.11 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4142 180.076736450195 183455.921875 3.56 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4143 181.108245849609 452438.84375 8.77 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4144 182.090789794922 6439.70166015625 0.12 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4145 192.076919555664 113392.7421875 2.2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4146 198.08723449707 65038.66015625 1.26 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4147 198.869476318359 3270.02294921875 0.06 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4148 209.103057861328 75399.5703125 1.46 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4149 210.087188720703 912743.5625 17.7 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4150 224.923370361328 3780.64306640625 0.07 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4151 227.113647460938 218042 4.23 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4152 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4153 RECORD_TITLE: MZ:227.1137 | RT:46.9 | grpid:199 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4154 MS$FOCUSED_ION: PRECURSOR_M/Z 227.113693237305 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4155 AC$CHROMATOGRAPHY: RETENTION_TIME 46.926273 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4156 XCMS groupid (grpid): 199 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4157 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4158 PK$NUM_PEAK: 28 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4159 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4160 109.063865661621 3976.69848632812 0.08 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4161 110.071578979492 5157183.5 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4162 111.055458068848 18864.41796875 0.37 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4163 112.087417602539 32219.046875 0.62 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4164 114.961769104004 4038.513671875 0.08 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4165 116.070892333984 7452.65673828125 0.14 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4166 120.884796142578 3409.80908203125 0.07 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4167 122.071441650391 747641 14.5 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4168 124.086860656738 4749.31494140625 0.09 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4169 134.071258544922 4929.89697265625 0.1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4170 136.087158203125 37337.6796875 0.72 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4171 138.065994262695 52444.08203125 1.02 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4172 146.071090698242 91415.3671875 1.77 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4173 148.086685180664 7030.39697265625 0.14 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4174 152.081817626953 272783.15625 5.29 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4175 156.076751708984 2114399.25 41 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4176 164.081802368164 667852.25 12.95 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4177 166.097290039062 5532.03466796875 0.11 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4178 180.076736450195 183455.921875 3.56 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4179 181.108245849609 452438.84375 8.77 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4180 182.090789794922 6439.70166015625 0.12 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4181 192.076919555664 113392.7421875 2.2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4182 198.08723449707 65038.66015625 1.26 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4183 198.869476318359 3270.02294921875 0.06 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4184 209.103057861328 75399.5703125 1.46 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4185 210.087188720703 912743.5625 17.7 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4186 224.923370361328 3780.64306640625 0.07 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4187 227.113647460938 218042 4.23 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4188 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4189 RECORD_TITLE: MZ:227.1135 | RT:46.9 | grpid:199 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4190 MS$FOCUSED_ION: PRECURSOR_M/Z 227.113494873047 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4191 AC$CHROMATOGRAPHY: RETENTION_TIME 46.926273 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4192 XCMS groupid (grpid): 199 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4193 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4194 PK$NUM_PEAK: 26 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4195 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4196 110.071594238281 3455085.75 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4197 111.055381774902 8208.2998046875 0.24 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4198 112.087005615234 30480.38671875 0.88 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4199 116.070869445801 196173.828125 5.68 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4200 122.07145690918 495504.40625 14.34 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4201 124.086784362793 6127.3720703125 0.18 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4202 128.031753540039 50135.078125 1.45 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4203 136.086944580078 22830.005859375 0.66 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4204 138.066314697266 32069.20703125 0.93 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4205 146.071044921875 54305.1875 1.57 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4206 150.785430908203 5283.994140625 0.15 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4207 152.081832885742 147392.34375 4.27 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4208 156.076751708984 1476530.5 42.73 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4209 159.049118041992 4586.6982421875 0.13 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4210 163.965179443359 4605.9501953125 0.13 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4211 164.081802368164 449720.71875 13.02 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4212 180.076721191406 148789.59375 4.31 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4213 181.108551025391 321351.5625 9.3 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4214 185.092193603516 23619.828125 0.68 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4215 185.227569580078 5673.0751953125 0.16 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4216 192.076889038086 75429.078125 2.18 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4217 198.087036132812 39931.79296875 1.16 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4218 209.10546875 52783.671875 1.53 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4219 210.087188720703 606993.0625 17.57 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4220 227.097503662109 23334.078125 0.68 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4221 227.117202758789 104483.0078125 3.02 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4222 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4223 RECORD_TITLE: MZ:227.1135 | RT:46.9 | grpid:199 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4224 MS$FOCUSED_ION: PRECURSOR_M/Z 227.113494873047 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4225 AC$CHROMATOGRAPHY: RETENTION_TIME 46.926273 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4226 XCMS groupid (grpid): 199 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4227 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4228 PK$NUM_PEAK: 26 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4229 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4230 110.071594238281 3455085.75 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4231 111.055381774902 8208.2998046875 0.24 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4232 112.087005615234 30480.38671875 0.88 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4233 116.070869445801 196173.828125 5.68 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4234 122.07145690918 495504.40625 14.34 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4235 124.086784362793 6127.3720703125 0.18 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4236 128.031753540039 50135.078125 1.45 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4237 136.086944580078 22830.005859375 0.66 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4238 138.066314697266 32069.20703125 0.93 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4239 146.071044921875 54305.1875 1.57 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4240 150.785430908203 5283.994140625 0.15 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4241 152.081832885742 147392.34375 4.27 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4242 156.076751708984 1476530.5 42.73 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4243 159.049118041992 4586.6982421875 0.13 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4244 163.965179443359 4605.9501953125 0.13 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4245 164.081802368164 449720.71875 13.02 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4246 180.076721191406 148789.59375 4.31 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4247 181.108551025391 321351.5625 9.3 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4248 185.092193603516 23619.828125 0.68 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4249 185.227569580078 5673.0751953125 0.16 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4250 192.076889038086 75429.078125 2.18 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4251 198.087036132812 39931.79296875 1.16 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4252 209.10546875 52783.671875 1.53 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4253 210.087188720703 606993.0625 17.57 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4254 227.097503662109 23334.078125 0.68 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4255 227.117202758789 104483.0078125 3.02 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4256 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4257 RECORD_TITLE: MZ:227.1137 | RT:47.1 | grpid:199 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4258 MS$FOCUSED_ION: PRECURSOR_M/Z 227.113677978516 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4259 AC$CHROMATOGRAPHY: RETENTION_TIME 47.0589156 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4260 XCMS groupid (grpid): 199 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4261 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4262 PK$NUM_PEAK: 28 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4263 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4264 109.063323974609 4221.65771484375 0.07 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4265 110.07154083252 5798238 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4266 111.055290222168 20111.91796875 0.35 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4267 112.087310791016 40849.96875 0.7 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4268 116.070976257324 4864.33203125 0.08 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4269 122.071434020996 848586.1875 14.64 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4270 124.086753845215 4588.31640625 0.08 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4271 136.086975097656 51356.94921875 0.89 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4272 138.066223144531 59856.890625 1.03 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4273 139.050079345703 7219.65087890625 0.12 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4274 145.14469909668 3823.6279296875 0.07 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4275 146.071044921875 83100.8125 1.43 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4276 147.054962158203 5208.69189453125 0.09 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4277 148.087280273438 6229.13134765625 0.11 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4278 152.081726074219 280289.625 4.83 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4279 153.128067016602 3270.22680664062 0.06 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4280 154.060882568359 5990.9248046875 0.1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4281 156.076705932617 2450068.75 42.26 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4282 164.081771850586 762235.875 13.15 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4283 166.096435546875 3583.4150390625 0.06 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4284 180.076614379883 204272.9375 3.52 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4285 181.108245849609 566960.5625 9.78 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4286 182.092300415039 18926.6875 0.33 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4287 192.076599121094 130414.5 2.25 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4288 198.087158203125 73449.0859375 1.27 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4289 209.103179931641 67038.6328125 1.16 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4290 210.087127685547 946560.0625 16.32 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4291 227.113571166992 237832.515625 4.1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4292 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4293 RECORD_TITLE: MZ:227.1137 | RT:47.1 | grpid:199 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4294 MS$FOCUSED_ION: PRECURSOR_M/Z 227.113677978516 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4295 AC$CHROMATOGRAPHY: RETENTION_TIME 47.0589156 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4296 XCMS groupid (grpid): 199 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4297 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4298 PK$NUM_PEAK: 28 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4299 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4300 109.063323974609 4221.65771484375 0.07 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4301 110.07154083252 5798238 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4302 111.055290222168 20111.91796875 0.35 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4303 112.087310791016 40849.96875 0.7 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4304 116.070976257324 4864.33203125 0.08 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4305 122.071434020996 848586.1875 14.64 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4306 124.086753845215 4588.31640625 0.08 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4307 136.086975097656 51356.94921875 0.89 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4308 138.066223144531 59856.890625 1.03 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4309 139.050079345703 7219.65087890625 0.12 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4310 145.14469909668 3823.6279296875 0.07 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4311 146.071044921875 83100.8125 1.43 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4312 147.054962158203 5208.69189453125 0.09 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4313 148.087280273438 6229.13134765625 0.11 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4314 152.081726074219 280289.625 4.83 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4315 153.128067016602 3270.22680664062 0.06 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4316 154.060882568359 5990.9248046875 0.1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4317 156.076705932617 2450068.75 42.26 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4318 164.081771850586 762235.875 13.15 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4319 166.096435546875 3583.4150390625 0.06 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4320 180.076614379883 204272.9375 3.52 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4321 181.108245849609 566960.5625 9.78 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4322 182.092300415039 18926.6875 0.33 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4323 192.076599121094 130414.5 2.25 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4324 198.087158203125 73449.0859375 1.27 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4325 209.103179931641 67038.6328125 1.16 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4326 210.087127685547 946560.0625 16.32 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4327 227.113571166992 237832.515625 4.1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4328 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4329 RECORD_TITLE: MZ:227.1135 | RT:47.1 | grpid:199 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4330 MS$FOCUSED_ION: PRECURSOR_M/Z 227.113540649414 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4331 AC$CHROMATOGRAPHY: RETENTION_TIME 47.0589156 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4332 XCMS groupid (grpid): 199 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4333 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4334 PK$NUM_PEAK: 26 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4335 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4336 110.071632385254 4015777.25 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4337 112.087242126465 22876.357421875 0.57 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4338 116.062522888184 5434.8310546875 0.14 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4339 116.070861816406 226792.078125 5.65 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4340 122.071510314941 580428.625 14.45 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4341 128.032089233398 74231.078125 1.85 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4342 136.086791992188 32750.228515625 0.82 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4343 138.06608581543 28351.646484375 0.71 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4344 139.05094909668 6357.27099609375 0.16 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4345 146.071029663086 81610.0078125 2.03 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4346 152.081771850586 198174.9375 4.93 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4347 156.076812744141 1565822.625 38.99 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4348 164.081832885742 504408.21875 12.56 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4349 164.141479492188 5804.94580078125 0.14 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4350 166.061492919922 7163.70751953125 0.18 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4351 166.097686767578 10044.3232421875 0.25 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4352 178.063537597656 5560.33203125 0.14 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4353 180.076644897461 149616.5 3.73 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4354 181.108612060547 344560.375 8.58 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4355 185.092254638672 33003.75390625 0.82 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4356 192.077011108398 102114.21875 2.54 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4357 198.086807250977 61685.7109375 1.54 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4358 198.102767944336 5951.31640625 0.15 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4359 209.104507446289 41406.42578125 1.03 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4360 210.087265014648 682425.875 16.99 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4361 227.117202758789 149649.421875 3.73 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4362 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4363 RECORD_TITLE: MZ:227.1135 | RT:47.1 | grpid:199 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4364 MS$FOCUSED_ION: PRECURSOR_M/Z 227.113540649414 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4365 AC$CHROMATOGRAPHY: RETENTION_TIME 47.0589156 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4366 XCMS groupid (grpid): 199 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4367 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4368 PK$NUM_PEAK: 26 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4369 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4370 110.071632385254 4015777.25 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4371 112.087242126465 22876.357421875 0.57 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4372 116.062522888184 5434.8310546875 0.14 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4373 116.070861816406 226792.078125 5.65 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4374 122.071510314941 580428.625 14.45 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4375 128.032089233398 74231.078125 1.85 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4376 136.086791992188 32750.228515625 0.82 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4377 138.06608581543 28351.646484375 0.71 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4378 139.05094909668 6357.27099609375 0.16 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4379 146.071029663086 81610.0078125 2.03 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4380 152.081771850586 198174.9375 4.93 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4381 156.076812744141 1565822.625 38.99 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4382 164.081832885742 504408.21875 12.56 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4383 164.141479492188 5804.94580078125 0.14 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4384 166.061492919922 7163.70751953125 0.18 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4385 166.097686767578 10044.3232421875 0.25 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4386 178.063537597656 5560.33203125 0.14 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4387 180.076644897461 149616.5 3.73 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4388 181.108612060547 344560.375 8.58 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4389 185.092254638672 33003.75390625 0.82 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4390 192.077011108398 102114.21875 2.54 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4391 198.086807250977 61685.7109375 1.54 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4392 198.102767944336 5951.31640625 0.15 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4393 209.104507446289 41406.42578125 1.03 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4394 210.087265014648 682425.875 16.99 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4395 227.117202758789 149649.421875 3.73 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4396 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4397 RECORD_TITLE: MZ:229.1545 | RT:110.4 | grpid:205 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4398 MS$FOCUSED_ION: PRECURSOR_M/Z 229.154479980469 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4399 AC$CHROMATOGRAPHY: RETENTION_TIME 110.36505 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4400 XCMS groupid (grpid): 205 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4401 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4402 PK$NUM_PEAK: 4 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4403 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4404 124.07585144043 3996.03637695312 1.8 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4405 132.102279663086 2883.22509765625 1.3 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4406 142.086273193359 59200.7578125 26.68 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4407 229.154678344727 221890.109375 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4408 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4409 RECORD_TITLE: MZ:229.1545 | RT:110.4 | grpid:205 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4410 MS$FOCUSED_ION: PRECURSOR_M/Z 229.154479980469 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4411 AC$CHROMATOGRAPHY: RETENTION_TIME 110.36505 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4412 XCMS groupid (grpid): 205 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4413 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4414 PK$NUM_PEAK: 4 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4415 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4416 124.07585144043 3996.03637695312 1.8 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4417 132.102279663086 2883.22509765625 1.3 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4418 142.086273193359 59200.7578125 26.68 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4419 229.154678344727 221890.109375 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4420 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4421 RECORD_TITLE: MZ:229.1544 | RT:110.4 | grpid:205 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4422 MS$FOCUSED_ION: PRECURSOR_M/Z 229.154418945312 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4423 AC$CHROMATOGRAPHY: RETENTION_TIME 110.36505 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4424 XCMS groupid (grpid): 205 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4425 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4426 PK$NUM_PEAK: 15 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4427 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4428 113.684791564941 2837.75732421875 0.09 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4429 114.055213928223 88155.328125 2.91 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4430 114.091705322266 33237.31640625 1.1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4431 116.070983886719 24816.646484375 0.82 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4432 118.086479187012 128697.59375 4.25 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4433 124.07592010498 99571.1484375 3.29 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4434 126.091514587402 23031.490234375 0.76 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4435 138.091461181641 23054.169921875 0.76 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4436 142.086227416992 939782.375 31.05 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4437 150.766067504883 2972.89770507812 0.1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4438 155.11799621582 14528.046875 0.48 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4439 163.416748046875 3224.02270507812 0.11 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4440 170.0810546875 53706.90625 1.77 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4441 183.11279296875 157506.125 5.2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4442 229.154556274414 3026336.75 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4443 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4444 RECORD_TITLE: MZ:229.1544 | RT:110.4 | grpid:205 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4445 MS$FOCUSED_ION: PRECURSOR_M/Z 229.154418945312 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4446 AC$CHROMATOGRAPHY: RETENTION_TIME 110.36505 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4447 XCMS groupid (grpid): 205 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4448 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4449 PK$NUM_PEAK: 15 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4450 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4451 113.684791564941 2837.75732421875 0.09 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4452 114.055213928223 88155.328125 2.91 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4453 114.091705322266 33237.31640625 1.1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4454 116.070983886719 24816.646484375 0.82 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4455 118.086479187012 128697.59375 4.25 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4456 124.07592010498 99571.1484375 3.29 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4457 126.091514587402 23031.490234375 0.76 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4458 138.091461181641 23054.169921875 0.76 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4459 142.086227416992 939782.375 31.05 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4460 150.766067504883 2972.89770507812 0.1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4461 155.11799621582 14528.046875 0.48 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4462 163.416748046875 3224.02270507812 0.11 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4463 170.0810546875 53706.90625 1.77 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4464 183.11279296875 157506.125 5.2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4465 229.154556274414 3026336.75 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4466 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4467 RECORD_TITLE: MZ:229.1544 | RT:110.4 | grpid:205 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4468 MS$FOCUSED_ION: PRECURSOR_M/Z 229.154434204102 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4469 AC$CHROMATOGRAPHY: RETENTION_TIME 110.36505 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4470 XCMS groupid (grpid): 205 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4471 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4472 PK$NUM_PEAK: 14 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4473 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4474 112.469497680664 3008.18212890625 0.15 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4475 114.055252075195 58211.37109375 2.92 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4476 114.091743469238 20295.462890625 1.02 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4477 116.070739746094 12375.900390625 0.62 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4478 118.086578369141 53857.25390625 2.7 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4479 124.075782775879 69204.625 3.47 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4480 126.091430664062 5008.6630859375 0.25 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4481 138.091171264648 10941.447265625 0.55 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4482 142.086227416992 600968.9375 30.16 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4483 161.004608154297 3299.0361328125 0.17 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4484 170.081069946289 27404.93359375 1.38 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4485 183.112686157227 70423.03125 3.53 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4486 188.466903686523 2877.20971679688 0.14 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4487 229.154541015625 1992422 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4488 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4489 RECORD_TITLE: MZ:229.1544 | RT:110.4 | grpid:205 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4490 MS$FOCUSED_ION: PRECURSOR_M/Z 229.154434204102 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4491 AC$CHROMATOGRAPHY: RETENTION_TIME 110.36505 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4492 XCMS groupid (grpid): 205 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4493 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4494 PK$NUM_PEAK: 14 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4495 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4496 112.469497680664 3008.18212890625 0.15 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4497 114.055252075195 58211.37109375 2.92 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4498 114.091743469238 20295.462890625 1.02 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4499 116.070739746094 12375.900390625 0.62 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4500 118.086578369141 53857.25390625 2.7 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4501 124.075782775879 69204.625 3.47 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4502 126.091430664062 5008.6630859375 0.25 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4503 138.091171264648 10941.447265625 0.55 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4504 142.086227416992 600968.9375 30.16 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4505 161.004608154297 3299.0361328125 0.17 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4506 170.081069946289 27404.93359375 1.38 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4507 183.112686157227 70423.03125 3.53 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4508 188.466903686523 2877.20971679688 0.14 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4509 229.154541015625 1992422 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4510 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4511 RECORD_TITLE: MZ:229.1545 | RT:110.4 | grpid:205 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4512 MS$FOCUSED_ION: PRECURSOR_M/Z 229.154479980469 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4513 AC$CHROMATOGRAPHY: RETENTION_TIME 110.36505 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4514 XCMS groupid (grpid): 205 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4515 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4516 PK$NUM_PEAK: 4 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4517 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4518 108.366012573242 2389.92602539062 8.14 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4519 115.646865844727 2582.40161132812 8.8 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4520 228.946487426758 2862.51293945312 9.76 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4521 229.154830932617 29343.333984375 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4522 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4523 RECORD_TITLE: MZ:229.1545 | RT:110.4 | grpid:205 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4524 MS$FOCUSED_ION: PRECURSOR_M/Z 229.154479980469 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4525 AC$CHROMATOGRAPHY: RETENTION_TIME 110.36505 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4526 XCMS groupid (grpid): 205 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4527 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4528 PK$NUM_PEAK: 4 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4529 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4530 108.366012573242 2389.92602539062 8.14 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4531 115.646865844727 2582.40161132812 8.8 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4532 228.946487426758 2862.51293945312 9.76 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4533 229.154830932617 29343.333984375 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4534 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4535 RECORD_TITLE: MZ:229.1545 | RT:110.6 | grpid:205 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4536 MS$FOCUSED_ION: PRECURSOR_M/Z 229.154495239258 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4537 AC$CHROMATOGRAPHY: RETENTION_TIME 110.559792 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4538 XCMS groupid (grpid): 205 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4539 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4540 PK$NUM_PEAK: 8 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4541 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4542 110.449501037598 2561.81323242188 1.06 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4543 114.05534362793 5061.34375 2.1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4544 142.086364746094 54889.66015625 22.8 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4545 160.547882080078 2563.63891601562 1.06 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4546 172.763061523438 2237.0029296875 0.93 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4547 174.426773071289 2692.06103515625 1.12 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4548 229.154678344727 240741.890625 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4549 229.234664916992 3307.47534179688 1.37 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4550 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4551 RECORD_TITLE: MZ:229.1545 | RT:110.6 | grpid:205 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4552 MS$FOCUSED_ION: PRECURSOR_M/Z 229.154495239258 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4553 AC$CHROMATOGRAPHY: RETENTION_TIME 110.559792 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4554 XCMS groupid (grpid): 205 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4555 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4556 PK$NUM_PEAK: 8 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4557 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4558 110.449501037598 2561.81323242188 1.06 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4559 114.05534362793 5061.34375 2.1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4560 142.086364746094 54889.66015625 22.8 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4561 160.547882080078 2563.63891601562 1.06 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4562 172.763061523438 2237.0029296875 0.93 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4563 174.426773071289 2692.06103515625 1.12 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4564 229.154678344727 240741.890625 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4565 229.234664916992 3307.47534179688 1.37 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4566 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4567 RECORD_TITLE: MZ:229.1544 | RT:110.6 | grpid:205 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4568 MS$FOCUSED_ION: PRECURSOR_M/Z 229.154403686523 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4569 AC$CHROMATOGRAPHY: RETENTION_TIME 110.559792 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4570 XCMS groupid (grpid): 205 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4571 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4572 PK$NUM_PEAK: 13 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4573 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4574 111.823776245117 3158.60302734375 0.08 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4575 114.05517578125 133561.359375 3.56 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4576 114.09156036377 56416.01171875 1.5 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4577 116.070823669434 34940.0546875 0.93 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4578 118.086433410645 152664.328125 4.07 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4579 124.075736999512 150421.125 4.01 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4580 126.091659545898 21493.138671875 0.57 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4581 138.091064453125 28345.015625 0.76 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4582 142.086212158203 1188447.125 31.7 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4583 155.117919921875 16436.8359375 0.44 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4584 170.080856323242 60972.6015625 1.63 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4585 183.112701416016 201120.578125 5.36 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4586 229.154495239258 3749332.75 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4587 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4588 RECORD_TITLE: MZ:229.1544 | RT:110.6 | grpid:205 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4589 MS$FOCUSED_ION: PRECURSOR_M/Z 229.154403686523 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4590 AC$CHROMATOGRAPHY: RETENTION_TIME 110.559792 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4591 XCMS groupid (grpid): 205 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4592 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4593 PK$NUM_PEAK: 13 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4594 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4595 111.823776245117 3158.60302734375 0.08 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4596 114.05517578125 133561.359375 3.56 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4597 114.09156036377 56416.01171875 1.5 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4598 116.070823669434 34940.0546875 0.93 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4599 118.086433410645 152664.328125 4.07 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4600 124.075736999512 150421.125 4.01 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4601 126.091659545898 21493.138671875 0.57 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4602 138.091064453125 28345.015625 0.76 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4603 142.086212158203 1188447.125 31.7 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4604 155.117919921875 16436.8359375 0.44 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4605 170.080856323242 60972.6015625 1.63 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4606 183.112701416016 201120.578125 5.36 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4607 229.154495239258 3749332.75 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4608 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4609 RECORD_TITLE: MZ:229.1544 | RT:110.6 | grpid:205 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4610 MS$FOCUSED_ION: PRECURSOR_M/Z 229.154434204102 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4611 AC$CHROMATOGRAPHY: RETENTION_TIME 110.559792 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4612 XCMS groupid (grpid): 205 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4613 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4614 PK$NUM_PEAK: 15 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4615 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4616 114.055229187012 60647.390625 2.82 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4617 114.091636657715 25895.21484375 1.21 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4618 116.070693969727 16604.19921875 0.77 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4619 118.086502075195 69176.140625 3.22 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4620 124.075775146484 78477.671875 3.65 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4621 126.091461181641 13197.8076171875 0.61 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4622 138.091033935547 5390.48388671875 0.25 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4623 142.08625793457 654026.6875 30.44 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4624 155.118103027344 6471.89501953125 0.3 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4625 161.247924804688 3175.17504882812 0.15 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4626 170.080963134766 28398.98828125 1.32 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4627 183.112716674805 82691.453125 3.85 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4628 200.034515380859 3440.39624023438 0.16 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4629 211.416717529297 2697.9521484375 0.13 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4630 229.154586791992 2148494.25 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4631 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4632 RECORD_TITLE: MZ:229.1544 | RT:110.6 | grpid:205 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4633 MS$FOCUSED_ION: PRECURSOR_M/Z 229.154434204102 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4634 AC$CHROMATOGRAPHY: RETENTION_TIME 110.559792 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4635 XCMS groupid (grpid): 205 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4636 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4637 PK$NUM_PEAK: 15 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4638 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4639 114.055229187012 60647.390625 2.82 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4640 114.091636657715 25895.21484375 1.21 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4641 116.070693969727 16604.19921875 0.77 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4642 118.086502075195 69176.140625 3.22 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4643 124.075775146484 78477.671875 3.65 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4644 126.091461181641 13197.8076171875 0.61 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4645 138.091033935547 5390.48388671875 0.25 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4646 142.08625793457 654026.6875 30.44 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4647 155.118103027344 6471.89501953125 0.3 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4648 161.247924804688 3175.17504882812 0.15 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4649 170.080963134766 28398.98828125 1.32 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4650 183.112716674805 82691.453125 3.85 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4651 200.034515380859 3440.39624023438 0.16 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4652 211.416717529297 2697.9521484375 0.13 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4653 229.154586791992 2148494.25 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4654 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4655 RECORD_TITLE: MZ:229.1545 | RT:110.6 | grpid:205 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4656 MS$FOCUSED_ION: PRECURSOR_M/Z 229.154479980469 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4657 AC$CHROMATOGRAPHY: RETENTION_TIME 110.559792 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4658 XCMS groupid (grpid): 205 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4659 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4660 PK$NUM_PEAK: 2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4661 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4662 226.508209228516 2416.11083984375 10.15 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4663 229.154418945312 23813.91015625 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4664 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4665 RECORD_TITLE: MZ:229.1545 | RT:110.6 | grpid:205 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4666 MS$FOCUSED_ION: PRECURSOR_M/Z 229.154479980469 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4667 AC$CHROMATOGRAPHY: RETENTION_TIME 110.559792 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4668 XCMS groupid (grpid): 205 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4669 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4670 PK$NUM_PEAK: 2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4671 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4672 226.508209228516 2416.11083984375 10.15 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4673 229.154418945312 23813.91015625 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4674 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4675 RECORD_TITLE: MZ:230.1385 | RT:116.8 | grpid:206 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4676 MS$FOCUSED_ION: PRECURSOR_M/Z 230.138534545898 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4677 AC$CHROMATOGRAPHY: RETENTION_TIME 116.806434 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4678 XCMS groupid (grpid): 206 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4679 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4680 PK$NUM_PEAK: 8 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4681 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4682 129.741027832031 2646.4072265625 4.45 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4683 142.085998535156 3789.9736328125 6.37 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4684 143.090148925781 6127.15771484375 10.3 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4685 161.254379272461 2645.1708984375 4.45 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4686 171.065704345703 18404.42578125 30.94 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4687 181.609985351562 2270.83032226562 3.82 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4688 230.138336181641 16945.2265625 28.49 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4689 230.158309936523 59480.609375 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4690 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4691 RECORD_TITLE: MZ:230.1385 | RT:116.8 | grpid:206 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4692 MS$FOCUSED_ION: PRECURSOR_M/Z 230.138534545898 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4693 AC$CHROMATOGRAPHY: RETENTION_TIME 116.806434 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4694 XCMS groupid (grpid): 206 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4695 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4696 PK$NUM_PEAK: 8 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4697 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4698 129.741027832031 2646.4072265625 4.45 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4699 142.085998535156 3789.9736328125 6.37 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4700 143.090148925781 6127.15771484375 10.3 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4701 161.254379272461 2645.1708984375 4.45 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4702 171.065704345703 18404.42578125 30.94 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4703 181.609985351562 2270.83032226562 3.82 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4704 230.138336181641 16945.2265625 28.49 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4705 230.158309936523 59480.609375 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4706 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4707 RECORD_TITLE: MZ:230.1384 | RT:116.8 | grpid:206 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4708 MS$FOCUSED_ION: PRECURSOR_M/Z 230.138412475586 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4709 AC$CHROMATOGRAPHY: RETENTION_TIME 116.806434 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4710 XCMS groupid (grpid): 206 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4711 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4712 PK$NUM_PEAK: 17 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4713 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4714 100.23999786377 2375.47680664062 3.67 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4715 134.948608398438 2629.12426757812 4.06 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4716 144.102401733398 5664.46728515625 8.75 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4717 155.723358154297 2731.0634765625 4.22 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4718 157.907409667969 2933.0439453125 4.53 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4719 166.047592163086 15541.818359375 24.02 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4720 170.705688476562 2597.7197265625 4.01 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4721 171.065200805664 47139.09375 72.85 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4722 175.505096435547 2865.88891601562 4.43 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4723 175.522003173828 2354.20971679688 3.64 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4724 184.334548950195 2978.513671875 4.6 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4725 224.660781860352 2611.29052734375 4.04 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4726 230.048034667969 3023.58984375 4.67 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4727 230.074829101562 3314.45288085938 5.12 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4728 230.138198852539 64708.8984375 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4729 230.157638549805 8235.0732421875 12.73 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4730 252.623626708984 2589.5390625 4 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4731 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4732 RECORD_TITLE: MZ:230.1384 | RT:116.8 | grpid:206 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4733 MS$FOCUSED_ION: PRECURSOR_M/Z 230.138412475586 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4734 AC$CHROMATOGRAPHY: RETENTION_TIME 116.806434 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4735 XCMS groupid (grpid): 206 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4736 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4737 PK$NUM_PEAK: 17 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4738 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4739 100.23999786377 2375.47680664062 3.67 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4740 134.948608398438 2629.12426757812 4.06 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4741 144.102401733398 5664.46728515625 8.75 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4742 155.723358154297 2731.0634765625 4.22 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4743 157.907409667969 2933.0439453125 4.53 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4744 166.047592163086 15541.818359375 24.02 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4745 170.705688476562 2597.7197265625 4.01 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4746 171.065200805664 47139.09375 72.85 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4747 175.505096435547 2865.88891601562 4.43 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4748 175.522003173828 2354.20971679688 3.64 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4749 184.334548950195 2978.513671875 4.6 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4750 224.660781860352 2611.29052734375 4.04 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4751 230.048034667969 3023.58984375 4.67 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4752 230.074829101562 3314.45288085938 5.12 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4753 230.138198852539 64708.8984375 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4754 230.157638549805 8235.0732421875 12.73 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4755 252.623626708984 2589.5390625 4 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4756 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4757 RECORD_TITLE: MZ:230.1385 | RT:117 | grpid:206 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4758 MS$FOCUSED_ION: PRECURSOR_M/Z 230.13850402832 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4759 AC$CHROMATOGRAPHY: RETENTION_TIME 116.993448 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4760 XCMS groupid (grpid): 206 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4761 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4762 PK$NUM_PEAK: 7 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4763 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4764 121.085006713867 2832.43310546875 4.35 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4765 142.08625793457 4096.91064453125 6.3 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4766 143.027862548828 2362.39404296875 3.63 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4767 143.089935302734 6177.53173828125 9.5 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4768 171.065704345703 9980.953125 15.34 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4769 230.138427734375 11488.73828125 17.66 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4770 230.157989501953 65046.7734375 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4771 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4772 RECORD_TITLE: MZ:230.1385 | RT:117 | grpid:206 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4773 MS$FOCUSED_ION: PRECURSOR_M/Z 230.13850402832 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4774 AC$CHROMATOGRAPHY: RETENTION_TIME 116.993448 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4775 XCMS groupid (grpid): 206 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4776 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4777 PK$NUM_PEAK: 7 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4778 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4779 121.085006713867 2832.43310546875 4.35 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4780 142.08625793457 4096.91064453125 6.3 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4781 143.027862548828 2362.39404296875 3.63 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4782 143.089935302734 6177.53173828125 9.5 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4783 171.065704345703 9980.953125 15.34 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4784 230.138427734375 11488.73828125 17.66 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4785 230.157989501953 65046.7734375 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4786 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4787 RECORD_TITLE: MZ:230.1384 | RT:117 | grpid:206 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4788 MS$FOCUSED_ION: PRECURSOR_M/Z 230.138442993164 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4789 AC$CHROMATOGRAPHY: RETENTION_TIME 116.993448 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4790 XCMS groupid (grpid): 206 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4791 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4792 PK$NUM_PEAK: 5 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4793 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4794 103.442092895508 2566.20703125 9.14 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4795 154.53678894043 2769.9482421875 9.87 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4796 171.06477355957 25066.97265625 89.31 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4797 199.904586791992 2728.13745117188 9.72 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4798 230.13835144043 28067.6171875 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4799 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4800 RECORD_TITLE: MZ:230.1384 | RT:117 | grpid:206 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4801 MS$FOCUSED_ION: PRECURSOR_M/Z 230.138442993164 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4802 AC$CHROMATOGRAPHY: RETENTION_TIME 116.993448 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4803 XCMS groupid (grpid): 206 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4804 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4805 PK$NUM_PEAK: 5 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4806 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4807 103.442092895508 2566.20703125 9.14 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4808 154.53678894043 2769.9482421875 9.87 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4809 171.06477355957 25066.97265625 89.31 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4810 199.904586791992 2728.13745117188 9.72 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4811 230.13835144043 28067.6171875 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4812 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4813 RECORD_TITLE: MZ:230.1384 | RT:117 | grpid:206 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4814 MS$FOCUSED_ION: PRECURSOR_M/Z 230.138442993164 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4815 AC$CHROMATOGRAPHY: RETENTION_TIME 116.993448 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4816 XCMS groupid (grpid): 206 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4817 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4818 PK$NUM_PEAK: 13 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4819 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4820 118.637107849121 2638.11669921875 2.56 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4821 133.330627441406 2652.22534179688 2.57 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4822 139.023971557617 2837.33520507812 2.75 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4823 144.102294921875 13455.767578125 13.06 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4824 166.047912597656 9638.998046875 9.35 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4825 167.984619140625 2446.177734375 2.37 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4826 170.596984863281 2782.6201171875 2.7 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4827 171.065002441406 82371.75 79.94 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4828 198.879165649414 3006.13061523438 2.92 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4829 204.917419433594 2715.51708984375 2.64 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4830 230.046417236328 4664.95068359375 4.53 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4831 230.138137817383 103036.0625 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4832 230.155090332031 8631.9453125 8.38 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4833 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4834 RECORD_TITLE: MZ:230.1384 | RT:117 | grpid:206 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4835 MS$FOCUSED_ION: PRECURSOR_M/Z 230.138442993164 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4836 AC$CHROMATOGRAPHY: RETENTION_TIME 116.993448 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4837 XCMS groupid (grpid): 206 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4838 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4839 PK$NUM_PEAK: 13 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4840 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4841 118.637107849121 2638.11669921875 2.56 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4842 133.330627441406 2652.22534179688 2.57 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4843 139.023971557617 2837.33520507812 2.75 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4844 144.102294921875 13455.767578125 13.06 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4845 166.047912597656 9638.998046875 9.35 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4846 167.984619140625 2446.177734375 2.37 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4847 170.596984863281 2782.6201171875 2.7 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4848 171.065002441406 82371.75 79.94 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4849 198.879165649414 3006.13061523438 2.92 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4850 204.917419433594 2715.51708984375 2.64 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4851 230.046417236328 4664.95068359375 4.53 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4852 230.138137817383 103036.0625 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4853 230.155090332031 8631.9453125 8.38 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4854 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4855 RECORD_TITLE: MZ:231.1699 | RT:130.8 | grpid:209 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4856 MS$FOCUSED_ION: PRECURSOR_M/Z 231.169937133789 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4857 AC$CHROMATOGRAPHY: RETENTION_TIME 130.794318 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4858 XCMS groupid (grpid): 209 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4859 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4860 PK$NUM_PEAK: 7 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4861 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4862 111.466903686523 3197.19702148438 13.95 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4863 116.07112121582 3271.9736328125 14.27 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4864 118.086364746094 22924.626953125 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4865 132.357925415039 2541.77392578125 11.09 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4866 179.655456542969 2593.84716796875 11.31 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4867 185.16487121582 4451.75 19.42 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4868 231.170959472656 13349.1865234375 58.23 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4869 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4870 RECORD_TITLE: MZ:231.1699 | RT:130.8 | grpid:209 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4871 MS$FOCUSED_ION: PRECURSOR_M/Z 231.169937133789 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4872 AC$CHROMATOGRAPHY: RETENTION_TIME 130.794318 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4873 XCMS groupid (grpid): 209 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4874 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4875 PK$NUM_PEAK: 7 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4876 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4877 111.466903686523 3197.19702148438 13.95 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4878 116.07112121582 3271.9736328125 14.27 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4879 118.086364746094 22924.626953125 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4880 132.357925415039 2541.77392578125 11.09 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4881 179.655456542969 2593.84716796875 11.31 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4882 185.16487121582 4451.75 19.42 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4883 231.170959472656 13349.1865234375 58.23 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4884 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4885 RECORD_TITLE: MZ:231.1699 | RT:131.1 | grpid:209 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4886 MS$FOCUSED_ION: PRECURSOR_M/Z 231.169860839844 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4887 AC$CHROMATOGRAPHY: RETENTION_TIME 131.148558 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4888 XCMS groupid (grpid): 209 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4889 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4890 PK$NUM_PEAK: 6 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4891 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4892 116.427024841309 2544.30590820312 8.85 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4893 118.086326599121 28757.314453125 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4894 134.190277099609 2779.22607421875 9.66 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4895 185.16487121582 11899.6162109375 41.38 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4896 231.170867919922 12690.720703125 44.13 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4897 242.216293334961 3109.39599609375 10.81 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4898 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4899 RECORD_TITLE: MZ:231.1699 | RT:131.1 | grpid:209 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4900 MS$FOCUSED_ION: PRECURSOR_M/Z 231.169860839844 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4901 AC$CHROMATOGRAPHY: RETENTION_TIME 131.148558 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4902 XCMS groupid (grpid): 209 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4903 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4904 PK$NUM_PEAK: 6 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4905 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4906 116.427024841309 2544.30590820312 8.85 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4907 118.086326599121 28757.314453125 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4908 134.190277099609 2779.22607421875 9.66 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4909 185.16487121582 11899.6162109375 41.38 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4910 231.170867919922 12690.720703125 44.13 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4911 242.216293334961 3109.39599609375 10.81 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4912 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4913 RECORD_TITLE: MZ:233.1493 | RT:66.7 | grpid:214 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4914 MS$FOCUSED_ION: PRECURSOR_M/Z 233.149276733398 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4915 AC$CHROMATOGRAPHY: RETENTION_TIME 66.710418 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4916 XCMS groupid (grpid): 214 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4917 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4918 PK$NUM_PEAK: 11 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4919 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4920 102.055320739746 46058.9453125 28.46 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4921 120.06568145752 161852.859375 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4922 130.049957275391 20183.56640625 12.47 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4923 135.011108398438 3049.1376953125 1.88 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4924 178.617614746094 3519.65258789062 2.17 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4925 191.037002563477 3096.40966796875 1.91 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4926 196.815231323242 2873.07104492188 1.78 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4927 215.138961791992 18780.240234375 11.6 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4928 220.911285400391 2972.72998046875 1.84 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4929 230.603881835938 2980.03857421875 1.84 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4930 233.149765014648 42429.27734375 26.21 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4931 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4932 RECORD_TITLE: MZ:233.1493 | RT:66.7 | grpid:214 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4933 MS$FOCUSED_ION: PRECURSOR_M/Z 233.149276733398 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4934 AC$CHROMATOGRAPHY: RETENTION_TIME 66.710418 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4935 XCMS groupid (grpid): 214 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4936 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4937 PK$NUM_PEAK: 11 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4938 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4939 102.055320739746 46058.9453125 28.46 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4940 120.06568145752 161852.859375 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4941 130.049957275391 20183.56640625 12.47 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4942 135.011108398438 3049.1376953125 1.88 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4943 178.617614746094 3519.65258789062 2.17 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4944 191.037002563477 3096.40966796875 1.91 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4945 196.815231323242 2873.07104492188 1.78 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4946 215.138961791992 18780.240234375 11.6 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4947 220.911285400391 2972.72998046875 1.84 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4948 230.603881835938 2980.03857421875 1.84 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4949 233.149765014648 42429.27734375 26.21 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4950 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4951 RECORD_TITLE: MZ:233.1492 | RT:66.7 | grpid:214 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4952 MS$FOCUSED_ION: PRECURSOR_M/Z 233.149154663086 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4953 AC$CHROMATOGRAPHY: RETENTION_TIME 66.710418 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4954 XCMS groupid (grpid): 214 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4955 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4956 PK$NUM_PEAK: 10 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4957 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4958 102.055374145508 86910.296875 28.65 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4959 120.065704345703 303368.0625 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4960 130.049865722656 77713.6015625 25.62 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4961 132.102035522461 5361.0576171875 1.77 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4962 142.122955322266 5992.06689453125 1.98 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4963 145.37971496582 4975.8681640625 1.64 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4964 152.107040405273 6148.76708984375 2.03 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4965 187.143295288086 7237.05029296875 2.39 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4966 215.139175415039 48739.20703125 16.07 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4967 233.149841308594 30125.052734375 9.93 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4968 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4969 RECORD_TITLE: MZ:233.1492 | RT:66.7 | grpid:214 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4970 MS$FOCUSED_ION: PRECURSOR_M/Z 233.149154663086 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4971 AC$CHROMATOGRAPHY: RETENTION_TIME 66.710418 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4972 XCMS groupid (grpid): 214 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4973 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4974 PK$NUM_PEAK: 10 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4975 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4976 102.055374145508 86910.296875 28.65 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4977 120.065704345703 303368.0625 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4978 130.049865722656 77713.6015625 25.62 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4979 132.102035522461 5361.0576171875 1.77 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4980 142.122955322266 5992.06689453125 1.98 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4981 145.37971496582 4975.8681640625 1.64 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4982 152.107040405273 6148.76708984375 2.03 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4983 187.143295288086 7237.05029296875 2.39 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4984 215.139175415039 48739.20703125 16.07 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4985 233.149841308594 30125.052734375 9.93 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4986 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4987 RECORD_TITLE: MZ:233.1491 | RT:66.7 | grpid:214 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4988 MS$FOCUSED_ION: PRECURSOR_M/Z 233.149139404297 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4989 AC$CHROMATOGRAPHY: RETENTION_TIME 66.710418 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4990 XCMS groupid (grpid): 214 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4991 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4992 PK$NUM_PEAK: 23 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4993 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4994 101.071334838867 100605.4296875 17.83 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4995 113.071434020996 4531.82373046875 0.8 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4996 113.487442016602 3021.54858398438 0.54 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4997 115.229232788086 2852.96069335938 0.51 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4998 119.081916809082 2818.02465820312 0.5 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4999 120.247566223145 3205.66284179688 0.57 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5000 124.111930847168 11710.2001953125 2.07 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5001 126.091361999512 6898.45703125 1.22 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5002 126.127662658691 18839.728515625 3.34 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5003 132.101913452148 564388 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5004 133.886932373047 2731.486328125 0.48 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5005 141.13835144043 4627.3662109375 0.82 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5006 142.122482299805 56002.75 9.92 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5007 143.11784362793 32530.818359375 5.76 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5008 152.106948852539 3150.77368164062 0.56 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5009 169.13362121582 50189.1640625 8.89 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5010 172.096221923828 5551.4375 0.98 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5011 187.143966674805 358919.5625 63.59 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5012 196.911468505859 2813.21264648438 0.5 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5013 215.139007568359 55979.66796875 9.92 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5014 227.10466003418 2925.60131835938 0.52 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5015 233.149459838867 93581.796875 16.58 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5016 233.250183105469 2942.49877929688 0.52 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5017 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5018 RECORD_TITLE: MZ:233.1491 | RT:66.7 | grpid:214 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5019 MS$FOCUSED_ION: PRECURSOR_M/Z 233.149139404297 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5020 AC$CHROMATOGRAPHY: RETENTION_TIME 66.710418 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5021 XCMS groupid (grpid): 214 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5022 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5023 PK$NUM_PEAK: 23 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5024 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5025 101.071334838867 100605.4296875 17.83 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5026 113.071434020996 4531.82373046875 0.8 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5027 113.487442016602 3021.54858398438 0.54 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5028 115.229232788086 2852.96069335938 0.51 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5029 119.081916809082 2818.02465820312 0.5 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5030 120.247566223145 3205.66284179688 0.57 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5031 124.111930847168 11710.2001953125 2.07 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5032 126.091361999512 6898.45703125 1.22 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5033 126.127662658691 18839.728515625 3.34 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5034 132.101913452148 564388 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5035 133.886932373047 2731.486328125 0.48 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5036 141.13835144043 4627.3662109375 0.82 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5037 142.122482299805 56002.75 9.92 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5038 143.11784362793 32530.818359375 5.76 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5039 152.106948852539 3150.77368164062 0.56 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5040 169.13362121582 50189.1640625 8.89 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5041 172.096221923828 5551.4375 0.98 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5042 187.143966674805 358919.5625 63.59 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5043 196.911468505859 2813.21264648438 0.5 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5044 215.139007568359 55979.66796875 9.92 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5045 227.10466003418 2925.60131835938 0.52 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5046 233.149459838867 93581.796875 16.58 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5047 233.250183105469 2942.49877929688 0.52 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5048 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5049 RECORD_TITLE: MZ:233.1493 | RT:66.7 | grpid:214 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5050 MS$FOCUSED_ION: PRECURSOR_M/Z 233.149337768555 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5051 AC$CHROMATOGRAPHY: RETENTION_TIME 66.710418 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5052 XCMS groupid (grpid): 214 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5053 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5054 PK$NUM_PEAK: 9 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5055 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5056 101.071556091309 2493.814453125 7.69 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5057 124.502639770508 2984.603515625 9.2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5058 128.410537719727 2174.90502929688 6.71 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5059 132.102142333984 32436.919921875 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5060 172.952499389648 2957.37841796875 9.12 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5061 187.144561767578 15544.0390625 47.92 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5062 215.140716552734 3567.82348632812 11 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5063 233.149673461914 5084.97900390625 15.68 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5064 253.858108520508 2743.083984375 8.46 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5065 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5066 RECORD_TITLE: MZ:233.1493 | RT:66.7 | grpid:214 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5067 MS$FOCUSED_ION: PRECURSOR_M/Z 233.149337768555 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5068 AC$CHROMATOGRAPHY: RETENTION_TIME 66.710418 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5069 XCMS groupid (grpid): 214 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5070 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5071 PK$NUM_PEAK: 9 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5072 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5073 101.071556091309 2493.814453125 7.69 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5074 124.502639770508 2984.603515625 9.2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5075 128.410537719727 2174.90502929688 6.71 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5076 132.102142333984 32436.919921875 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5077 172.952499389648 2957.37841796875 9.12 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5078 187.144561767578 15544.0390625 47.92 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5079 215.140716552734 3567.82348632812 11 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5080 233.149673461914 5084.97900390625 15.68 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5081 253.858108520508 2743.083984375 8.46 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5082 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5083 RECORD_TITLE: MZ:233.1493 | RT:67.6 | grpid:214 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5084 MS$FOCUSED_ION: PRECURSOR_M/Z 233.149291992188 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5085 AC$CHROMATOGRAPHY: RETENTION_TIME 67.634034 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5086 XCMS groupid (grpid): 214 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5087 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5088 PK$NUM_PEAK: 9 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5089 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5090 102.055397033691 51696.87890625 30.83 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5091 108.190528869629 2962.69165039062 1.77 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5092 119.28791809082 3011.89086914062 1.8 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5093 120.065727233887 167691.296875 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5094 130.049560546875 22072.8984375 13.16 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5095 172.952362060547 7278.1767578125 4.34 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5096 187.143920898438 4654.2177734375 2.78 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5097 215.138793945312 25857.91796875 15.42 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5098 233.14973449707 36328.3828125 21.66 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5099 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5100 RECORD_TITLE: MZ:233.1493 | RT:67.6 | grpid:214 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5101 MS$FOCUSED_ION: PRECURSOR_M/Z 233.149291992188 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5102 AC$CHROMATOGRAPHY: RETENTION_TIME 67.634034 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5103 XCMS groupid (grpid): 214 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5104 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5105 PK$NUM_PEAK: 9 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5106 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5107 102.055397033691 51696.87890625 30.83 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5108 108.190528869629 2962.69165039062 1.77 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5109 119.28791809082 3011.89086914062 1.8 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5110 120.065727233887 167691.296875 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5111 130.049560546875 22072.8984375 13.16 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5112 172.952362060547 7278.1767578125 4.34 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5113 187.143920898438 4654.2177734375 2.78 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5114 215.138793945312 25857.91796875 15.42 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5115 233.14973449707 36328.3828125 21.66 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5116 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5117 RECORD_TITLE: MZ:233.1492 | RT:67.6 | grpid:214 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5118 MS$FOCUSED_ION: PRECURSOR_M/Z 233.14924621582 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5119 AC$CHROMATOGRAPHY: RETENTION_TIME 67.634034 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5120 XCMS groupid (grpid): 214 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5121 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5122 PK$NUM_PEAK: 10 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5123 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5124 102.055374145508 93276.1875 32.65 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5125 120.06575012207 285714.625 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5126 130.050003051758 69039.71875 24.16 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5127 132.102340698242 9135.7373046875 3.2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5128 142.122619628906 8058.5205078125 2.82 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5129 187.143646240234 8425.7138671875 2.95 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5130 206.64485168457 4463.98486328125 1.56 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5131 210.353286743164 5293.15966796875 1.85 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5132 215.139358520508 40721.81640625 14.25 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5133 233.149688720703 38054.04296875 13.32 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5134 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5135 RECORD_TITLE: MZ:233.1492 | RT:67.6 | grpid:214 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5136 MS$FOCUSED_ION: PRECURSOR_M/Z 233.14924621582 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5137 AC$CHROMATOGRAPHY: RETENTION_TIME 67.634034 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5138 XCMS groupid (grpid): 214 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5139 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5140 PK$NUM_PEAK: 10 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5141 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5142 102.055374145508 93276.1875 32.65 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5143 120.06575012207 285714.625 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5144 130.050003051758 69039.71875 24.16 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5145 132.102340698242 9135.7373046875 3.2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5146 142.122619628906 8058.5205078125 2.82 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5147 187.143646240234 8425.7138671875 2.95 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5148 206.64485168457 4463.98486328125 1.56 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5149 210.353286743164 5293.15966796875 1.85 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5150 215.139358520508 40721.81640625 14.25 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5151 233.149688720703 38054.04296875 13.32 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5152 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5153 RECORD_TITLE: MZ:233.1492 | RT:67.6 | grpid:214 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5154 MS$FOCUSED_ION: PRECURSOR_M/Z 233.149185180664 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5155 AC$CHROMATOGRAPHY: RETENTION_TIME 67.634034 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5156 XCMS groupid (grpid): 214 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5157 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5158 PK$NUM_PEAK: 23 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5159 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5160 101.071342468262 97423.7578125 16.65 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5161 102.055519104004 4149.83447265625 0.71 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5162 102.568023681641 2694.57568359375 0.46 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5163 113.071311950684 13492.287109375 2.31 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5164 123.613304138184 3085.32690429688 0.53 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5165 124.11213684082 16775.2578125 2.87 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5166 126.09156036377 6146.685546875 1.05 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5167 126.127891540527 14801.251953125 2.53 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5168 128.544235229492 2777.36840820312 0.47 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5169 130.086166381836 5045.4287109375 0.86 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5170 132.101943969727 585150.625 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5171 141.13883972168 4284.43359375 0.73 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5172 142.122772216797 57117.609375 9.76 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5173 143.118026733398 33974.69140625 5.81 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5174 169.133560180664 55101.19921875 9.42 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5175 172.096343994141 12080.26171875 2.06 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5176 178.798309326172 3285.00073242188 0.56 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5177 187.143997192383 385463.53125 65.87 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5178 197.128372192383 3680.0439453125 0.63 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5179 215.139099121094 49366.75 8.44 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5180 226.9541015625 2955.89013671875 0.51 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5181 233.149444580078 86856.4140625 14.84 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5182 233.187530517578 3770.36254882812 0.64 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5183 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5184 RECORD_TITLE: MZ:233.1492 | RT:67.6 | grpid:214 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5185 MS$FOCUSED_ION: PRECURSOR_M/Z 233.149185180664 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5186 AC$CHROMATOGRAPHY: RETENTION_TIME 67.634034 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5187 XCMS groupid (grpid): 214 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5188 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5189 PK$NUM_PEAK: 23 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5190 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5191 101.071342468262 97423.7578125 16.65 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5192 102.055519104004 4149.83447265625 0.71 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5193 102.568023681641 2694.57568359375 0.46 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5194 113.071311950684 13492.287109375 2.31 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5195 123.613304138184 3085.32690429688 0.53 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5196 124.11213684082 16775.2578125 2.87 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5197 126.09156036377 6146.685546875 1.05 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5198 126.127891540527 14801.251953125 2.53 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5199 128.544235229492 2777.36840820312 0.47 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5200 130.086166381836 5045.4287109375 0.86 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5201 132.101943969727 585150.625 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5202 141.13883972168 4284.43359375 0.73 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5203 142.122772216797 57117.609375 9.76 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5204 143.118026733398 33974.69140625 5.81 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5205 169.133560180664 55101.19921875 9.42 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5206 172.096343994141 12080.26171875 2.06 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5207 178.798309326172 3285.00073242188 0.56 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5208 187.143997192383 385463.53125 65.87 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5209 197.128372192383 3680.0439453125 0.63 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5210 215.139099121094 49366.75 8.44 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5211 226.9541015625 2955.89013671875 0.51 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5212 233.149444580078 86856.4140625 14.84 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5213 233.187530517578 3770.36254882812 0.64 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5214 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5215 RECORD_TITLE: MZ:233.1492 | RT:67.6 | grpid:214 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5216 MS$FOCUSED_ION: PRECURSOR_M/Z 233.14924621582 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5217 AC$CHROMATOGRAPHY: RETENTION_TIME 67.634034 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5218 XCMS groupid (grpid): 214 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5219 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5220 PK$NUM_PEAK: 7 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5221 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5222 125.827949523926 2453.33764648438 9.08 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5223 132.101837158203 27032.3515625 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5224 133.954803466797 2418.62817382812 8.95 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5225 142.123184204102 2863.05541992188 10.59 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5226 187.144226074219 16553.251953125 61.23 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5227 233.150588989258 3492.63256835938 12.92 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5228 233.190063476562 2942.85205078125 10.89 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5229 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5230 RECORD_TITLE: MZ:233.1492 | RT:67.6 | grpid:214 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5231 MS$FOCUSED_ION: PRECURSOR_M/Z 233.14924621582 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5232 AC$CHROMATOGRAPHY: RETENTION_TIME 67.634034 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5233 XCMS groupid (grpid): 214 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5234 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5235 PK$NUM_PEAK: 7 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5236 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5237 125.827949523926 2453.33764648438 9.08 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5238 132.101837158203 27032.3515625 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5239 133.954803466797 2418.62817382812 8.95 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5240 142.123184204102 2863.05541992188 10.59 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5241 187.144226074219 16553.251953125 61.23 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5242 233.150588989258 3492.63256835938 12.92 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5243 233.190063476562 2942.85205078125 10.89 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5244 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5245 RECORD_TITLE: MZ:244.9539 | RT:41 | grpid:234 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5246 MS$FOCUSED_ION: PRECURSOR_M/Z 244.953887939453 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5247 AC$CHROMATOGRAPHY: RETENTION_TIME 40.9547952 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5248 XCMS groupid (grpid): 234 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5249 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5250 PK$NUM_PEAK: 10 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5251 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5252 104.992713928223 340494.65625 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5253 134.018981933594 6148.11669921875 1.81 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5254 162.950485229492 3323.24096679688 0.98 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5255 164.879348754883 2862.37036132812 0.84 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5256 171.35090637207 2969.00439453125 0.87 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5257 186.895538330078 3287.81958007812 0.97 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5258 186.911956787109 77847.96875 22.86 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5259 186.995681762695 4629.24658203125 1.36 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5260 204.922775268555 61411.63671875 18.04 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5261 216.667694091797 2451.92456054688 0.72 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5262 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5263 RECORD_TITLE: MZ:244.9539 | RT:41 | grpid:234 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5264 MS$FOCUSED_ION: PRECURSOR_M/Z 244.953887939453 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5265 AC$CHROMATOGRAPHY: RETENTION_TIME 40.9547952 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5266 XCMS groupid (grpid): 234 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5267 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5268 PK$NUM_PEAK: 10 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5269 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5270 104.992713928223 340494.65625 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5271 134.018981933594 6148.11669921875 1.81 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5272 162.950485229492 3323.24096679688 0.98 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5273 164.879348754883 2862.37036132812 0.84 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5274 171.35090637207 2969.00439453125 0.87 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5275 186.895538330078 3287.81958007812 0.97 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5276 186.911956787109 77847.96875 22.86 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5277 186.995681762695 4629.24658203125 1.36 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5278 204.922775268555 61411.63671875 18.04 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5279 216.667694091797 2451.92456054688 0.72 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5280 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5281 RECORD_TITLE: MZ:244.9538 | RT:41.1 | grpid:234 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5282 MS$FOCUSED_ION: PRECURSOR_M/Z 244.953842163086 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5283 AC$CHROMATOGRAPHY: RETENTION_TIME 41.0984136 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5284 XCMS groupid (grpid): 234 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5285 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5286 PK$NUM_PEAK: 9 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5287 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5288 104.992698669434 416298.96875 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5289 104.999923706055 7185.41552734375 1.73 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5290 134.019241333008 22449.341796875 5.39 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5291 146.019165039062 4753.09130859375 1.14 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5292 162.95100402832 3315.03491210938 0.8 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5293 183.394256591797 2706.86157226562 0.65 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5294 186.912048339844 68123.859375 16.36 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5295 186.99592590332 4615.99462890625 1.11 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5296 204.922622680664 49536.19921875 11.9 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5297 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5298 RECORD_TITLE: MZ:244.9538 | RT:41.1 | grpid:234 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5299 MS$FOCUSED_ION: PRECURSOR_M/Z 244.953842163086 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5300 AC$CHROMATOGRAPHY: RETENTION_TIME 41.0984136 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5301 XCMS groupid (grpid): 234 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5302 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5303 PK$NUM_PEAK: 9 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5304 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5305 104.992698669434 416298.96875 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5306 104.999923706055 7185.41552734375 1.73 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5307 134.019241333008 22449.341796875 5.39 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5308 146.019165039062 4753.09130859375 1.14 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5309 162.95100402832 3315.03491210938 0.8 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5310 183.394256591797 2706.86157226562 0.65 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5311 186.912048339844 68123.859375 16.36 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5312 186.99592590332 4615.99462890625 1.11 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5313 204.922622680664 49536.19921875 11.9 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5314 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5315 RECORD_TITLE: MZ:245.0764 | RT:83.4 | grpid:235 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5316 MS$FOCUSED_ION: PRECURSOR_M/Z 245.076446533203 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5317 AC$CHROMATOGRAPHY: RETENTION_TIME 83.441172 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5318 XCMS groupid (grpid): 235 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5319 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5320 PK$NUM_PEAK: 8 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5321 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5322 102.847290039062 7233.47998046875 0.33 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5323 103.039291381836 12718.3603515625 0.58 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5324 113.034873962402 2177657.75 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5325 115.039009094238 51866.30859375 2.38 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5326 127.821929931641 6439.4697265625 0.3 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5327 133.049758911133 79959.2890625 3.67 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5328 183.691345214844 6732.88623046875 0.31 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5329 245.160766601562 16266.2109375 0.75 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5330 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5331 RECORD_TITLE: MZ:245.0764 | RT:83.4 | grpid:235 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5332 MS$FOCUSED_ION: PRECURSOR_M/Z 245.076446533203 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5333 AC$CHROMATOGRAPHY: RETENTION_TIME 83.441172 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5334 XCMS groupid (grpid): 235 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5335 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5336 PK$NUM_PEAK: 8 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5337 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5338 102.847290039062 7233.47998046875 0.33 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5339 103.039291381836 12718.3603515625 0.58 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5340 113.034873962402 2177657.75 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5341 115.039009094238 51866.30859375 2.38 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5342 127.821929931641 6439.4697265625 0.3 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5343 133.049758911133 79959.2890625 3.67 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5344 183.691345214844 6732.88623046875 0.31 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5345 245.160766601562 16266.2109375 0.75 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5346 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5347 RECORD_TITLE: MZ:245.0765 | RT:83.6 | grpid:235 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5348 MS$FOCUSED_ION: PRECURSOR_M/Z 245.076461791992 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5349 AC$CHROMATOGRAPHY: RETENTION_TIME 83.64567 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5350 XCMS groupid (grpid): 235 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5351 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5352 PK$NUM_PEAK: 9 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5353 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5354 103.039436340332 8101.8408203125 0.42 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5355 113.034912109375 1941275.5 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5356 115.039443969727 48567.2734375 2.5 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5357 133.049758911133 52039.21875 2.68 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5358 137.333404541016 5343.7626953125 0.28 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5359 149.172576904297 5415.865234375 0.28 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5360 158.082015991211 5685.69775390625 0.29 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5361 245.160354614258 20578.3828125 1.06 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5362 269.657653808594 5373.13623046875 0.28 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5363 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5364 RECORD_TITLE: MZ:245.0765 | RT:83.6 | grpid:235 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5365 MS$FOCUSED_ION: PRECURSOR_M/Z 245.076461791992 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5366 AC$CHROMATOGRAPHY: RETENTION_TIME 83.64567 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5367 XCMS groupid (grpid): 235 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5368 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5369 PK$NUM_PEAK: 9 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5370 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5371 103.039436340332 8101.8408203125 0.42 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5372 113.034912109375 1941275.5 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5373 115.039443969727 48567.2734375 2.5 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5374 133.049758911133 52039.21875 2.68 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5375 137.333404541016 5343.7626953125 0.28 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5376 149.172576904297 5415.865234375 0.28 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5377 158.082015991211 5685.69775390625 0.29 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5378 245.160354614258 20578.3828125 1.06 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5379 269.657653808594 5373.13623046875 0.28 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5380 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5381 RECORD_TITLE: MZ:246.1445 | RT:56 | grpid:238 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5382 MS$FOCUSED_ION: PRECURSOR_M/Z 246.14453125 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5383 AC$CHROMATOGRAPHY: RETENTION_TIME 56.048412 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5384 XCMS groupid (grpid): 238 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5385 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5386 PK$NUM_PEAK: 39 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5387 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5388 100.075866699219 14307.3046875 1.48 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5389 101.071304321289 77612.53125 8.03 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5390 101.107765197754 13628.1044921875 1.41 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5391 102.055305480957 13994.3603515625 1.45 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5392 111.054954528809 3121.79370117188 0.32 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5393 112.087295532227 36104.33984375 3.74 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5394 116.070602416992 5924.2724609375 0.61 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5395 117.102523803711 32440.0546875 3.36 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5396 118.086433410645 58407.17578125 6.04 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5397 129.102493286133 109578.2734375 11.34 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5398 129.113220214844 14699.2412109375 1.52 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5399 130.049942016602 930876.8125 96.3 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5400 130.086334228516 158307.53125 16.38 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5401 137.720031738281 2940.19921875 0.3 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5402 138.091659545898 2857.93823242188 0.3 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5403 138.102661132812 12444.765625 1.29 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5404 147.076354980469 966629.375 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5405 147.112716674805 187215.6875 19.37 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5406 158.09211730957 3689.1044921875 0.38 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5407 162.474563598633 2948.10424804688 0.3 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5408 171.075454711914 5850.251953125 0.61 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5409 172.887664794922 3349.94604492188 0.35 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5410 173.957077026367 3202.59350585938 0.33 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5411 175.118850708008 4633.72509765625 0.48 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5412 175.700073242188 2696.47802734375 0.28 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5413 182.128219604492 12645.0830078125 1.31 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5414 183.112380981445 35901.765625 3.71 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5415 184.344192504883 2776.12524414062 0.29 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5416 194.080612182617 4284.95703125 0.44 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5417 196.987716674805 2927.38989257812 0.3 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5418 200.047790527344 22924.576171875 2.37 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5419 211.107360839844 5091.181640625 0.53 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5420 228.134506225586 30204.845703125 3.12 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5421 228.170013427734 5492.08544921875 0.57 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5422 229.117797851562 21251.548828125 2.2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5423 229.153762817383 7065.13134765625 0.73 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5424 246.055068969727 24465.38671875 2.53 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5425 246.142868041992 33020.84375 3.42 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5426 246.180923461914 44765.84375 4.63 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5427 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5428 RECORD_TITLE: MZ:246.1445 | RT:56 | grpid:238 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5429 MS$FOCUSED_ION: PRECURSOR_M/Z 246.14453125 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5430 AC$CHROMATOGRAPHY: RETENTION_TIME 56.048412 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5431 XCMS groupid (grpid): 238 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5432 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5433 PK$NUM_PEAK: 39 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5434 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5435 100.075866699219 14307.3046875 1.48 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5436 101.071304321289 77612.53125 8.03 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5437 101.107765197754 13628.1044921875 1.41 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5438 102.055305480957 13994.3603515625 1.45 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5439 111.054954528809 3121.79370117188 0.32 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5440 112.087295532227 36104.33984375 3.74 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5441 116.070602416992 5924.2724609375 0.61 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5442 117.102523803711 32440.0546875 3.36 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5443 118.086433410645 58407.17578125 6.04 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5444 129.102493286133 109578.2734375 11.34 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5445 129.113220214844 14699.2412109375 1.52 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5446 130.049942016602 930876.8125 96.3 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5447 130.086334228516 158307.53125 16.38 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5448 137.720031738281 2940.19921875 0.3 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5449 138.091659545898 2857.93823242188 0.3 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5450 138.102661132812 12444.765625 1.29 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5451 147.076354980469 966629.375 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5452 147.112716674805 187215.6875 19.37 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5453 158.09211730957 3689.1044921875 0.38 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5454 162.474563598633 2948.10424804688 0.3 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5455 171.075454711914 5850.251953125 0.61 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5456 172.887664794922 3349.94604492188 0.35 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5457 173.957077026367 3202.59350585938 0.33 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5458 175.118850708008 4633.72509765625 0.48 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5459 175.700073242188 2696.47802734375 0.28 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5460 182.128219604492 12645.0830078125 1.31 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5461 183.112380981445 35901.765625 3.71 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5462 184.344192504883 2776.12524414062 0.29 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5463 194.080612182617 4284.95703125 0.44 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5464 196.987716674805 2927.38989257812 0.3 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5465 200.047790527344 22924.576171875 2.37 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5466 211.107360839844 5091.181640625 0.53 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5467 228.134506225586 30204.845703125 3.12 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5468 228.170013427734 5492.08544921875 0.57 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5469 229.117797851562 21251.548828125 2.2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5470 229.153762817383 7065.13134765625 0.73 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5471 246.055068969727 24465.38671875 2.53 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5472 246.142868041992 33020.84375 3.42 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5473 246.180923461914 44765.84375 4.63 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5474 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5475 RECORD_TITLE: MZ:246.1446 | RT:56.2 | grpid:238 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5476 MS$FOCUSED_ION: PRECURSOR_M/Z 246.144577026367 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5477 AC$CHROMATOGRAPHY: RETENTION_TIME 56.1655458 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5478 XCMS groupid (grpid): 238 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5479 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5480 PK$NUM_PEAK: 40 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5481 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5482 100.076126098633 13507.232421875 1.34 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5483 101.071449279785 79448.5546875 7.91 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5484 101.10791015625 12414.9365234375 1.24 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5485 102.055488586426 7000.93603515625 0.7 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5486 105.111312866211 3550.4013671875 0.35 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5487 111.055686950684 4715.681640625 0.47 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5488 112.087326049805 31429.337890625 3.13 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5489 116.071029663086 5825.57421875 0.58 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5490 117.074378967285 4742.4384765625 0.47 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5491 117.10237121582 36997.4921875 3.68 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5492 118.086387634277 61979.0078125 6.17 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5493 127.533218383789 3126.70092773438 0.31 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5494 129.102493286133 119557.765625 11.9 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5495 129.113388061523 17992.248046875 1.79 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5496 130.049987792969 894460.25 89 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5497 130.086349487305 163269.09375 16.25 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5498 130.096298217773 5541.70068359375 0.55 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5499 138.091659545898 4977.36181640625 0.5 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5500 138.102569580078 10837.1796875 1.08 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5501 144.558670043945 3019.34936523438 0.3 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5502 147.076416015625 1005005 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5503 147.112762451172 190010.625 18.91 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5504 156.300552368164 3563.12890625 0.35 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5505 158.09245300293 3216.63720703125 0.32 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5506 171.076248168945 3413.69702148438 0.34 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5507 177.550689697266 3003.36254882812 0.3 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5508 183.11262512207 28672.052734375 2.85 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5509 190.794464111328 3111.716796875 0.31 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5510 194.081283569336 3054.80810546875 0.3 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5511 200.048919677734 17289.095703125 1.72 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5512 211.143585205078 4624.5439453125 0.46 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5513 214.018432617188 2903.59130859375 0.29 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5514 228.133575439453 33692.7421875 3.35 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5515 229.118698120117 35895.65234375 3.57 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5516 229.154357910156 6166.2578125 0.61 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5517 246.05500793457 10908.7216796875 1.09 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5518 246.14274597168 40747.77734375 4.05 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5519 246.180313110352 44600.65625 4.44 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5520 246.202621459961 5074.580078125 0.5 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5521 262.875 3137.12841796875 0.31 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5522 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5523 RECORD_TITLE: MZ:246.1446 | RT:56.2 | grpid:238 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5524 MS$FOCUSED_ION: PRECURSOR_M/Z 246.144577026367 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5525 AC$CHROMATOGRAPHY: RETENTION_TIME 56.1655458 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5526 XCMS groupid (grpid): 238 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5527 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5528 PK$NUM_PEAK: 40 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5529 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5530 100.076126098633 13507.232421875 1.34 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5531 101.071449279785 79448.5546875 7.91 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5532 101.10791015625 12414.9365234375 1.24 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5533 102.055488586426 7000.93603515625 0.7 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5534 105.111312866211 3550.4013671875 0.35 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5535 111.055686950684 4715.681640625 0.47 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5536 112.087326049805 31429.337890625 3.13 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5537 116.071029663086 5825.57421875 0.58 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5538 117.074378967285 4742.4384765625 0.47 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5539 117.10237121582 36997.4921875 3.68 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5540 118.086387634277 61979.0078125 6.17 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5541 127.533218383789 3126.70092773438 0.31 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5542 129.102493286133 119557.765625 11.9 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5543 129.113388061523 17992.248046875 1.79 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5544 130.049987792969 894460.25 89 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5545 130.086349487305 163269.09375 16.25 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5546 130.096298217773 5541.70068359375 0.55 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5547 138.091659545898 4977.36181640625 0.5 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5548 138.102569580078 10837.1796875 1.08 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5549 144.558670043945 3019.34936523438 0.3 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5550 147.076416015625 1005005 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5551 147.112762451172 190010.625 18.91 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5552 156.300552368164 3563.12890625 0.35 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5553 158.09245300293 3216.63720703125 0.32 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5554 171.076248168945 3413.69702148438 0.34 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5555 177.550689697266 3003.36254882812 0.3 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5556 183.11262512207 28672.052734375 2.85 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5557 190.794464111328 3111.716796875 0.31 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5558 194.081283569336 3054.80810546875 0.3 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5559 200.048919677734 17289.095703125 1.72 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5560 211.143585205078 4624.5439453125 0.46 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5561 214.018432617188 2903.59130859375 0.29 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5562 228.133575439453 33692.7421875 3.35 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5563 229.118698120117 35895.65234375 3.57 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5564 229.154357910156 6166.2578125 0.61 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5565 246.05500793457 10908.7216796875 1.09 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5566 246.14274597168 40747.77734375 4.05 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5567 246.180313110352 44600.65625 4.44 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5568 246.202621459961 5074.580078125 0.5 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5569 262.875 3137.12841796875 0.31 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5570 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5571 RECORD_TITLE: MZ:247.1285 | RT:62.9 | grpid:241 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5572 MS$FOCUSED_ION: PRECURSOR_M/Z 247.128524780273 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5573 AC$CHROMATOGRAPHY: RETENTION_TIME 62.924034 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5574 XCMS groupid (grpid): 241 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5575 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5576 PK$NUM_PEAK: 30 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5577 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5578 101.071533203125 4915.9921875 2.23 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5579 102.055526733398 17999.03515625 8.16 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5580 112.087356567383 18231.693359375 8.27 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5581 113.090782165527 3811.66333007812 1.73 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5582 118.086524963379 220550.984375 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5583 129.103302001953 4632.9462890625 2.1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5584 130.050018310547 63388.43359375 28.74 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5585 130.087036132812 11824.09375 5.36 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5586 130.097747802734 67087.765625 30.42 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5587 130.10612487793 9013.638671875 4.09 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5588 130.88395690918 3057.10424804688 1.39 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5589 131.053588867188 45934.31640625 20.83 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5590 131.090026855469 14938.9189453125 6.77 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5591 134.044509887695 25767.728515625 11.68 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5592 138.091735839844 3246.8876953125 1.47 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5593 146.360244750977 2722.07177734375 1.23 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5594 147.076461791992 66293.1015625 30.06 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5595 147.113372802734 7142.50048828125 3.24 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5596 148.061431884766 6891.27197265625 3.12 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5597 148.080047607422 61795.8515625 28.02 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5598 148.116592407227 6220.20751953125 2.82 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5599 160.0341796875 28294.21484375 12.83 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5600 183.112808227539 76318.3125 34.6 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5601 211.109375 4621.84033203125 2.1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5602 217.056274414062 12258.8408203125 5.56 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5603 229.03205871582 3768.45849609375 1.71 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5604 229.119094848633 17402.88671875 7.89 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5605 247.04118347168 6746.8359375 3.06 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5606 247.12890625 16844.4296875 7.64 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5607 247.185424804688 4080.24975585938 1.85 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5608 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5609 RECORD_TITLE: MZ:247.1285 | RT:62.9 | grpid:241 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5610 MS$FOCUSED_ION: PRECURSOR_M/Z 247.128524780273 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5611 AC$CHROMATOGRAPHY: RETENTION_TIME 62.924034 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5612 XCMS groupid (grpid): 241 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5613 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5614 PK$NUM_PEAK: 30 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5615 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5616 101.071533203125 4915.9921875 2.23 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5617 102.055526733398 17999.03515625 8.16 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5618 112.087356567383 18231.693359375 8.27 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5619 113.090782165527 3811.66333007812 1.73 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5620 118.086524963379 220550.984375 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5621 129.103302001953 4632.9462890625 2.1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5622 130.050018310547 63388.43359375 28.74 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5623 130.087036132812 11824.09375 5.36 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5624 130.097747802734 67087.765625 30.42 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5625 130.10612487793 9013.638671875 4.09 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5626 130.88395690918 3057.10424804688 1.39 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5627 131.053588867188 45934.31640625 20.83 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5628 131.090026855469 14938.9189453125 6.77 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5629 134.044509887695 25767.728515625 11.68 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5630 138.091735839844 3246.8876953125 1.47 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5631 146.360244750977 2722.07177734375 1.23 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5632 147.076461791992 66293.1015625 30.06 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5633 147.113372802734 7142.50048828125 3.24 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5634 148.061431884766 6891.27197265625 3.12 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5635 148.080047607422 61795.8515625 28.02 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5636 148.116592407227 6220.20751953125 2.82 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5637 160.0341796875 28294.21484375 12.83 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5638 183.112808227539 76318.3125 34.6 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5639 211.109375 4621.84033203125 2.1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5640 217.056274414062 12258.8408203125 5.56 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5641 229.03205871582 3768.45849609375 1.71 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5642 229.119094848633 17402.88671875 7.89 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5643 247.04118347168 6746.8359375 3.06 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5644 247.12890625 16844.4296875 7.64 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5645 247.185424804688 4080.24975585938 1.85 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5646 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5647 RECORD_TITLE: MZ:247.1286 | RT:62.9 | grpid:241 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5648 MS$FOCUSED_ION: PRECURSOR_M/Z 247.128555297852 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5649 AC$CHROMATOGRAPHY: RETENTION_TIME 62.924034 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5650 XCMS groupid (grpid): 241 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5651 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5652 PK$NUM_PEAK: 15 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5653 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5654 109.101608276367 2677.603515625 10.74 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5655 112.037132263184 24922.798828125 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5656 126.405822753906 2260.37182617188 9.07 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5657 134.507843017578 2369.63403320312 9.51 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5658 150.067886352539 2649.77758789062 10.63 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5659 154.145935058594 2689.52221679688 10.79 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5660 157.004974365234 2465.52807617188 9.89 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5661 160.048294067383 3230.96533203125 12.96 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5662 193.122848510742 13635.9755859375 54.71 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5663 198.204879760742 2759.31298828125 11.07 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5664 205.472229003906 2472.44360351562 9.92 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5665 232.068283081055 2996.47729492188 12.02 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5666 249.095306396484 18998.556640625 76.23 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5667 249.184753417969 6276.87939453125 25.19 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5668 253.000381469727 2692.25341796875 10.8 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5669 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5670 RECORD_TITLE: MZ:247.1286 | RT:62.9 | grpid:241 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5671 MS$FOCUSED_ION: PRECURSOR_M/Z 247.128555297852 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5672 AC$CHROMATOGRAPHY: RETENTION_TIME 62.924034 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5673 XCMS groupid (grpid): 241 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5674 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5675 PK$NUM_PEAK: 15 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5676 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5677 109.101608276367 2677.603515625 10.74 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5678 112.037132263184 24922.798828125 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5679 126.405822753906 2260.37182617188 9.07 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5680 134.507843017578 2369.63403320312 9.51 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5681 150.067886352539 2649.77758789062 10.63 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5682 154.145935058594 2689.52221679688 10.79 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5683 157.004974365234 2465.52807617188 9.89 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5684 160.048294067383 3230.96533203125 12.96 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5685 193.122848510742 13635.9755859375 54.71 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5686 198.204879760742 2759.31298828125 11.07 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5687 205.472229003906 2472.44360351562 9.92 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5688 232.068283081055 2996.47729492188 12.02 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5689 249.095306396484 18998.556640625 76.23 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5690 249.184753417969 6276.87939453125 25.19 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5691 253.000381469727 2692.25341796875 10.8 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5692 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5693 RECORD_TITLE: MZ:247.1285 | RT:62.9 | grpid:241 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5694 MS$FOCUSED_ION: PRECURSOR_M/Z 247.128494262695 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5695 AC$CHROMATOGRAPHY: RETENTION_TIME 62.924034 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5696 XCMS groupid (grpid): 241 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5697 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5698 PK$NUM_PEAK: 33 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5699 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5700 100.039733886719 12922.361328125 3 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5701 110.016410827637 4399.591796875 1.02 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5702 110.023979187012 105860 24.6 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5703 110.096382141113 3855.55981445312 0.9 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5704 113.107551574707 78384.8984375 18.22 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5705 115.050552368164 45442.77734375 10.56 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5706 124.03173828125 3966.55126953125 0.92 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5707 124.039169311523 29841.650390625 6.94 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5708 126.055000305176 5601.46630859375 1.3 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5709 127.050636291504 3003.63354492188 0.7 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5710 132.101943969727 430244.25 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5711 133.060958862305 27673.70703125 6.43 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5712 134.064041137695 14767.8623046875 3.43 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5713 138.091583251953 23510.8125 5.46 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5714 141.102172851562 262265.71875 60.96 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5715 142.086166381836 4546.0771484375 1.06 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5716 143.117477416992 4414.91357421875 1.03 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5717 144.121887207031 4809.23046875 1.12 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5718 155.117782592773 18610.294921875 4.33 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5719 156.101867675781 53450.71484375 12.42 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5720 159.058746337891 3053.46411132812 0.71 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5721 166.08625793457 186577.9375 43.37 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5722 169.097915649414 14180.6708984375 3.3 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5723 174.839401245117 3326.54638671875 0.77 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5724 183.112579345703 46416.62890625 10.79 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5725 184.096862792969 39137.8671875 9.1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5726 187.107604980469 101419.1953125 23.57 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5727 201.123260498047 272059.1875 63.23 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5728 211.071578979492 4047.69848632812 0.94 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5729 212.091552734375 80220.359375 18.65 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5730 229.118896484375 12313.20703125 2.86 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5731 247.129196166992 18728.529296875 4.35 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5732 247.165390014648 5324.00341796875 1.24 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5733 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5734 RECORD_TITLE: MZ:247.1285 | RT:62.9 | grpid:241 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5735 MS$FOCUSED_ION: PRECURSOR_M/Z 247.128494262695 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5736 AC$CHROMATOGRAPHY: RETENTION_TIME 62.924034 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5737 XCMS groupid (grpid): 241 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5738 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5739 PK$NUM_PEAK: 33 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5740 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5741 100.039733886719 12922.361328125 3 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5742 110.016410827637 4399.591796875 1.02 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5743 110.023979187012 105860 24.6 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5744 110.096382141113 3855.55981445312 0.9 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5745 113.107551574707 78384.8984375 18.22 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5746 115.050552368164 45442.77734375 10.56 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5747 124.03173828125 3966.55126953125 0.92 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5748 124.039169311523 29841.650390625 6.94 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5749 126.055000305176 5601.46630859375 1.3 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5750 127.050636291504 3003.63354492188 0.7 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5751 132.101943969727 430244.25 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5752 133.060958862305 27673.70703125 6.43 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5753 134.064041137695 14767.8623046875 3.43 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5754 138.091583251953 23510.8125 5.46 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5755 141.102172851562 262265.71875 60.96 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5756 142.086166381836 4546.0771484375 1.06 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5757 143.117477416992 4414.91357421875 1.03 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5758 144.121887207031 4809.23046875 1.12 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5759 155.117782592773 18610.294921875 4.33 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5760 156.101867675781 53450.71484375 12.42 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5761 159.058746337891 3053.46411132812 0.71 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5762 166.08625793457 186577.9375 43.37 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5763 169.097915649414 14180.6708984375 3.3 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5764 174.839401245117 3326.54638671875 0.77 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5765 183.112579345703 46416.62890625 10.79 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5766 184.096862792969 39137.8671875 9.1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5767 187.107604980469 101419.1953125 23.57 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5768 201.123260498047 272059.1875 63.23 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5769 211.071578979492 4047.69848632812 0.94 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5770 212.091552734375 80220.359375 18.65 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5771 229.118896484375 12313.20703125 2.86 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5772 247.129196166992 18728.529296875 4.35 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5773 247.165390014648 5324.00341796875 1.24 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5774 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5775 RECORD_TITLE: MZ:247.1286 | RT:63.1 | grpid:241 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5776 MS$FOCUSED_ION: PRECURSOR_M/Z 247.128570556641 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5777 AC$CHROMATOGRAPHY: RETENTION_TIME 63.078168 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5778 XCMS groupid (grpid): 241 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5779 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5780 PK$NUM_PEAK: 31 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5781 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5782 102.055419921875 13477.2587890625 6.38 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5783 112.087196350098 21468.986328125 10.16 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5784 118.086456298828 211227.515625 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5785 129.102722167969 4764.44580078125 2.26 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5786 130.049957275391 69090.96875 32.71 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5787 130.086669921875 13241.359375 6.27 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5788 130.097686767578 65608.203125 31.06 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5789 130.106018066406 8941.12890625 4.23 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5790 131.053649902344 63589.81640625 30.1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5791 131.089904785156 10938.1142578125 5.18 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5792 134.044998168945 20733.888671875 9.82 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5793 138.092834472656 2852.19946289062 1.35 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5794 147.076293945312 64659.62109375 30.61 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5795 147.113296508789 17257.7421875 8.17 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5796 148.060928344727 14010.34765625 6.63 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5797 148.080200195312 71281.28125 33.75 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5798 148.11637878418 15297.1376953125 7.24 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5799 155.117889404297 3927.92236328125 1.86 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5800 155.703384399414 2784.28930664062 1.32 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5801 160.034820556641 24992.818359375 11.83 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5802 164.929946899414 3443.31860351562 1.63 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5803 169.674926757812 3342.94409179688 1.58 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5804 183.112823486328 73128.03125 34.62 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5805 217.056488037109 13811.8203125 6.54 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5806 229.03271484375 4092.55541992188 1.94 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5807 229.118270874023 17113.9921875 8.1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5808 239.218215942383 3813.77709960938 1.81 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5809 247.043273925781 11689.3798828125 5.53 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5810 247.066665649414 4645.0556640625 2.2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5811 247.128723144531 19147.109375 9.06 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5812 247.185501098633 4294.36669921875 2.03 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5813 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5814 RECORD_TITLE: MZ:247.1286 | RT:63.1 | grpid:241 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5815 MS$FOCUSED_ION: PRECURSOR_M/Z 247.128570556641 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5816 AC$CHROMATOGRAPHY: RETENTION_TIME 63.078168 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5817 XCMS groupid (grpid): 241 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5818 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5819 PK$NUM_PEAK: 31 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5820 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5821 102.055419921875 13477.2587890625 6.38 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5822 112.087196350098 21468.986328125 10.16 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5823 118.086456298828 211227.515625 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5824 129.102722167969 4764.44580078125 2.26 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5825 130.049957275391 69090.96875 32.71 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5826 130.086669921875 13241.359375 6.27 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5827 130.097686767578 65608.203125 31.06 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5828 130.106018066406 8941.12890625 4.23 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5829 131.053649902344 63589.81640625 30.1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5830 131.089904785156 10938.1142578125 5.18 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5831 134.044998168945 20733.888671875 9.82 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5832 138.092834472656 2852.19946289062 1.35 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5833 147.076293945312 64659.62109375 30.61 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5834 147.113296508789 17257.7421875 8.17 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5835 148.060928344727 14010.34765625 6.63 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5836 148.080200195312 71281.28125 33.75 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5837 148.11637878418 15297.1376953125 7.24 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5838 155.117889404297 3927.92236328125 1.86 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5839 155.703384399414 2784.28930664062 1.32 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5840 160.034820556641 24992.818359375 11.83 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5841 164.929946899414 3443.31860351562 1.63 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5842 169.674926757812 3342.94409179688 1.58 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5843 183.112823486328 73128.03125 34.62 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5844 217.056488037109 13811.8203125 6.54 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5845 229.03271484375 4092.55541992188 1.94 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5846 229.118270874023 17113.9921875 8.1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5847 239.218215942383 3813.77709960938 1.81 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5848 247.043273925781 11689.3798828125 5.53 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5849 247.066665649414 4645.0556640625 2.2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5850 247.128723144531 19147.109375 9.06 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5851 247.185501098633 4294.36669921875 2.03 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5852 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5853 RECORD_TITLE: MZ:247.1284 | RT:63.1 | grpid:241 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5854 MS$FOCUSED_ION: PRECURSOR_M/Z 247.12841796875 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5855 AC$CHROMATOGRAPHY: RETENTION_TIME 63.078168 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5856 XCMS groupid (grpid): 241 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5857 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5858 PK$NUM_PEAK: 16 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5859 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5860 109.10139465332 3096.30078125 17.6 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5861 111.782005310059 2370.93627929688 13.48 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5862 112.037254333496 16103.5498046875 91.54 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5863 119.814743041992 2135.421875 12.14 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5864 131.267974853516 2664.68774414062 15.15 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5865 135.015426635742 2635.43310546875 14.98 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5866 144.065002441406 2312.09887695312 13.14 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5867 159.075958251953 2911.9580078125 16.55 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5868 161.096008300781 6006.62109375 34.14 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5869 176.302444458008 2841.53466796875 16.15 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5870 178.059234619141 5622.9130859375 31.96 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5871 193.122680664062 17592.4453125 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5872 232.072952270508 2832.11767578125 16.1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5873 238.186141967773 2708.92797851562 15.4 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5874 249.096389770508 13837.796875 78.66 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5875 249.184692382812 3012.81860351562 17.13 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5876 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5877 RECORD_TITLE: MZ:247.1284 | RT:63.1 | grpid:241 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5878 MS$FOCUSED_ION: PRECURSOR_M/Z 247.12841796875 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5879 AC$CHROMATOGRAPHY: RETENTION_TIME 63.078168 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5880 XCMS groupid (grpid): 241 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5881 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5882 PK$NUM_PEAK: 16 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5883 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5884 109.10139465332 3096.30078125 17.6 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5885 111.782005310059 2370.93627929688 13.48 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5886 112.037254333496 16103.5498046875 91.54 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5887 119.814743041992 2135.421875 12.14 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5888 131.267974853516 2664.68774414062 15.15 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5889 135.015426635742 2635.43310546875 14.98 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5890 144.065002441406 2312.09887695312 13.14 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5891 159.075958251953 2911.9580078125 16.55 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5892 161.096008300781 6006.62109375 34.14 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5893 176.302444458008 2841.53466796875 16.15 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5894 178.059234619141 5622.9130859375 31.96 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5895 193.122680664062 17592.4453125 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5896 232.072952270508 2832.11767578125 16.1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5897 238.186141967773 2708.92797851562 15.4 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5898 249.096389770508 13837.796875 78.66 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5899 249.184692382812 3012.81860351562 17.13 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5900 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5901 RECORD_TITLE: MZ:247.1285 | RT:63.1 | grpid:241 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5902 MS$FOCUSED_ION: PRECURSOR_M/Z 247.128540039062 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5903 AC$CHROMATOGRAPHY: RETENTION_TIME 63.078168 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5904 XCMS groupid (grpid): 241 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5905 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5906 PK$NUM_PEAK: 34 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5907 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5908 100.039810180664 16230.130859375 2.51 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5909 100.129455566406 3088.31616210938 0.48 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5910 109.224807739258 3134.384765625 0.48 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5911 110.024040222168 172038.890625 26.57 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5912 110.097229003906 3709.59545898438 0.57 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5913 113.107681274414 139519.890625 21.54 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5914 115.050537109375 42305.17578125 6.53 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5915 115.075965881348 3120.34985351562 0.48 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5916 124.039505004883 33093.234375 5.11 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5917 124.112640380859 4744.0634765625 0.73 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5918 127.050514221191 6785.62939453125 1.05 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5919 132.102005004883 647576.625 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5920 133.060791015625 20392.81640625 3.15 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5921 134.064590454102 6011.63232421875 0.93 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5922 138.091461181641 34649.21875 5.35 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5923 141.10221862793 376578.21875 58.15 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5924 142.086898803711 5985.953125 0.92 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5925 155.117828369141 26456.58984375 4.09 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5926 156.101928710938 77247.6171875 11.93 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5927 157.060485839844 3439.94970703125 0.53 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5928 159.059173583984 3302.8623046875 0.51 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5929 166.08625793457 309187.65625 47.75 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5930 169.097244262695 20175.3828125 3.12 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5931 183.112716674805 75154.6640625 11.61 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5932 184.09684753418 43417.96484375 6.7 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5933 187.107696533203 151877.21875 23.45 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5934 201.123336791992 386774.53125 59.73 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5935 211.071746826172 4007.6142578125 0.62 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5936 211.107727050781 3803.70727539062 0.59 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5937 212.091644287109 137084.6875 21.17 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5938 214.482971191406 3311.51025390625 0.51 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5939 229.118530273438 14333.751953125 2.21 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5940 247.128860473633 24032.13671875 3.71 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5941 247.165985107422 4345.8564453125 0.67 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5942 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5943 RECORD_TITLE: MZ:247.1285 | RT:63.1 | grpid:241 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5944 MS$FOCUSED_ION: PRECURSOR_M/Z 247.128540039062 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5945 AC$CHROMATOGRAPHY: RETENTION_TIME 63.078168 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5946 XCMS groupid (grpid): 241 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5947 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5948 PK$NUM_PEAK: 34 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5949 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5950 100.039810180664 16230.130859375 2.51 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5951 100.129455566406 3088.31616210938 0.48 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5952 109.224807739258 3134.384765625 0.48 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5953 110.024040222168 172038.890625 26.57 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5954 110.097229003906 3709.59545898438 0.57 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5955 113.107681274414 139519.890625 21.54 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5956 115.050537109375 42305.17578125 6.53 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5957 115.075965881348 3120.34985351562 0.48 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5958 124.039505004883 33093.234375 5.11 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5959 124.112640380859 4744.0634765625 0.73 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5960 127.050514221191 6785.62939453125 1.05 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5961 132.102005004883 647576.625 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5962 133.060791015625 20392.81640625 3.15 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5963 134.064590454102 6011.63232421875 0.93 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5964 138.091461181641 34649.21875 5.35 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5965 141.10221862793 376578.21875 58.15 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5966 142.086898803711 5985.953125 0.92 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5967 155.117828369141 26456.58984375 4.09 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5968 156.101928710938 77247.6171875 11.93 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5969 157.060485839844 3439.94970703125 0.53 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5970 159.059173583984 3302.8623046875 0.51 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5971 166.08625793457 309187.65625 47.75 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5972 169.097244262695 20175.3828125 3.12 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5973 183.112716674805 75154.6640625 11.61 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5974 184.09684753418 43417.96484375 6.7 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5975 187.107696533203 151877.21875 23.45 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5976 201.123336791992 386774.53125 59.73 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5977 211.071746826172 4007.6142578125 0.62 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5978 211.107727050781 3803.70727539062 0.59 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5979 212.091644287109 137084.6875 21.17 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5980 214.482971191406 3311.51025390625 0.51 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5981 229.118530273438 14333.751953125 2.21 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5982 247.128860473633 24032.13671875 3.71 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5983 247.165985107422 4345.8564453125 0.67 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5984 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5985 RECORD_TITLE: MZ:249.0956 | RT:43.9 | grpid:246 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5986 MS$FOCUSED_ION: PRECURSOR_M/Z 249.095626831055 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5987 AC$CHROMATOGRAPHY: RETENTION_TIME 43.9150368 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5988 XCMS groupid (grpid): 246 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5989 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5990 PK$NUM_PEAK: 27 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5991 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5992 100.417434692383 3012.53979492188 0.25 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5993 110.071434020996 52747.71484375 4.38 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5994 112.03719329834 1204596.875 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5995 112.310897827148 3575.49780273438 0.3 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5996 120.003074645996 4209.83837890625 0.35 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5997 120.065299987793 4691.2216796875 0.39 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5998 125.015129089355 3768.94604492188 0.31 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5999 130.047882080078 4939.74560546875 0.41 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6000 132.053253173828 159884.984375 13.27 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6001 133.03694152832 28776.453125 2.39 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6002 147.712509155273 3520.52807617188 0.29 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6003 153.063125610352 8966.9013671875 0.74 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6004 155.546905517578 4072.21923828125 0.34 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6005 157.506332397461 3476.060546875 0.29 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6006 160.048065185547 216563.09375 17.98 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6007 173.02961730957 17807.7265625 1.48 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6008 178.05859375 386586.875 32.09 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6009 187.09553527832 13148.18359375 1.09 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6010 191.040130615234 161698.859375 13.42 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6011 191.058059692383 6976.28173828125 0.58 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6012 191.076446533203 57719.375 4.79 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6013 193.122222900391 8479.275390625 0.7 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6014 201.073806762695 8188.94873046875 0.68 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6015 203.09098815918 35861.9765625 2.98 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6016 232.06901550293 202170.046875 16.78 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6017 249.095581054688 864044.125 71.73 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6018 256.981597900391 3960.87768554688 0.33 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6019 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6020 RECORD_TITLE: MZ:249.0956 | RT:43.9 | grpid:246 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6021 MS$FOCUSED_ION: PRECURSOR_M/Z 249.095626831055 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6022 AC$CHROMATOGRAPHY: RETENTION_TIME 43.9150368 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6023 XCMS groupid (grpid): 246 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6024 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6025 PK$NUM_PEAK: 27 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6026 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6027 100.417434692383 3012.53979492188 0.25 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6028 110.071434020996 52747.71484375 4.38 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6029 112.03719329834 1204596.875 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6030 112.310897827148 3575.49780273438 0.3 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6031 120.003074645996 4209.83837890625 0.35 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6032 120.065299987793 4691.2216796875 0.39 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6033 125.015129089355 3768.94604492188 0.31 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6034 130.047882080078 4939.74560546875 0.41 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6035 132.053253173828 159884.984375 13.27 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6036 133.03694152832 28776.453125 2.39 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6037 147.712509155273 3520.52807617188 0.29 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6038 153.063125610352 8966.9013671875 0.74 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6039 155.546905517578 4072.21923828125 0.34 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6040 157.506332397461 3476.060546875 0.29 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6041 160.048065185547 216563.09375 17.98 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6042 173.02961730957 17807.7265625 1.48 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6043 178.05859375 386586.875 32.09 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6044 187.09553527832 13148.18359375 1.09 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6045 191.040130615234 161698.859375 13.42 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6046 191.058059692383 6976.28173828125 0.58 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6047 191.076446533203 57719.375 4.79 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6048 193.122222900391 8479.275390625 0.7 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6049 201.073806762695 8188.94873046875 0.68 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6050 203.09098815918 35861.9765625 2.98 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6051 232.06901550293 202170.046875 16.78 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6052 249.095581054688 864044.125 71.73 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6053 256.981597900391 3960.87768554688 0.33 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6054 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6055 RECORD_TITLE: MZ:249.0956 | RT:44.1 | grpid:246 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6056 MS$FOCUSED_ION: PRECURSOR_M/Z 249.095642089844 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6057 AC$CHROMATOGRAPHY: RETENTION_TIME 44.0806488 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6058 XCMS groupid (grpid): 246 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6059 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6060 PK$NUM_PEAK: 24 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6061 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6062 102.05534362793 5758.3828125 0.61 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6063 110.071769714355 39500.23828125 4.2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6064 112.037246704102 940339.1875 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6065 120.003524780273 6103.93701171875 0.65 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6066 120.065902709961 10654.81640625 1.13 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6067 130.049179077148 4996.4912109375 0.53 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6068 132.053283691406 119280.65625 12.68 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6069 133.037567138672 29320.185546875 3.12 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6070 134.018768310547 11701.443359375 1.24 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6071 153.063461303711 15509.638671875 1.65 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6072 160.048049926758 171535.25 18.24 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6073 173.029846191406 18237.09375 1.94 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6074 177.075286865234 3303.73095703125 0.35 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6075 178.058670043945 303257.25 32.25 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6076 180.905288696289 3644.25463867188 0.39 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6077 187.095825195312 6590.21435546875 0.7 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6078 191.040252685547 270489.15625 28.77 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6079 191.07649230957 83460.109375 8.88 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6080 193.122436523438 4344.080078125 0.46 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6081 196.547912597656 3137.29174804688 0.33 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6082 201.074554443359 5955.5576171875 0.63 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6083 203.089859008789 23535.162109375 2.5 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6084 232.069076538086 151738.125 16.14 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6085 249.095672607422 689680.875 73.34 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6086 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6087 RECORD_TITLE: MZ:249.0956 | RT:44.1 | grpid:246 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6088 MS$FOCUSED_ION: PRECURSOR_M/Z 249.095642089844 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6089 AC$CHROMATOGRAPHY: RETENTION_TIME 44.0806488 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6090 XCMS groupid (grpid): 246 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6091 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6092 PK$NUM_PEAK: 24 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6093 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6094 102.05534362793 5758.3828125 0.61 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6095 110.071769714355 39500.23828125 4.2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6096 112.037246704102 940339.1875 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6097 120.003524780273 6103.93701171875 0.65 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6098 120.065902709961 10654.81640625 1.13 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6099 130.049179077148 4996.4912109375 0.53 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6100 132.053283691406 119280.65625 12.68 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6101 133.037567138672 29320.185546875 3.12 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6102 134.018768310547 11701.443359375 1.24 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6103 153.063461303711 15509.638671875 1.65 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6104 160.048049926758 171535.25 18.24 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6105 173.029846191406 18237.09375 1.94 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6106 177.075286865234 3303.73095703125 0.35 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6107 178.058670043945 303257.25 32.25 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6108 180.905288696289 3644.25463867188 0.39 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6109 187.095825195312 6590.21435546875 0.7 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6110 191.040252685547 270489.15625 28.77 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6111 191.07649230957 83460.109375 8.88 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6112 193.122436523438 4344.080078125 0.46 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6113 196.547912597656 3137.29174804688 0.33 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6114 201.074554443359 5955.5576171875 0.63 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6115 203.089859008789 23535.162109375 2.5 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6116 232.069076538086 151738.125 16.14 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6117 249.095672607422 689680.875 73.34 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6118 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6119 RECORD_TITLE: MZ:253.1518 | RT:130.8 | grpid:254 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6120 MS$FOCUSED_ION: PRECURSOR_M/Z 253.151809692383 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6121 AC$CHROMATOGRAPHY: RETENTION_TIME 130.794318 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6122 XCMS groupid (grpid): 254 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6123 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6124 PK$NUM_PEAK: 10 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6125 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6126 107.091743469238 2954.37670898438 3.89 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6127 110.071716308594 33523.06640625 44.11 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6128 120.081520080566 3132.15551757812 4.12 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6129 140.067886352539 33707.0078125 44.36 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6130 141.054458618164 2880.50244140625 3.79 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6131 154.083801269531 21151.53515625 27.83 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6132 156.076873779297 3850.58935546875 5.07 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6133 200.121810913086 2855.59790039062 3.76 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6134 235.118896484375 4956.2041015625 6.52 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6135 253.152420043945 75993.6953125 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6136 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6137 RECORD_TITLE: MZ:253.1518 | RT:130.8 | grpid:254 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6138 MS$FOCUSED_ION: PRECURSOR_M/Z 253.151809692383 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6139 AC$CHROMATOGRAPHY: RETENTION_TIME 130.794318 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6140 XCMS groupid (grpid): 254 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6141 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6142 PK$NUM_PEAK: 10 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6143 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6144 107.091743469238 2954.37670898438 3.89 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6145 110.071716308594 33523.06640625 44.11 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6146 120.081520080566 3132.15551757812 4.12 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6147 140.067886352539 33707.0078125 44.36 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6148 141.054458618164 2880.50244140625 3.79 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6149 154.083801269531 21151.53515625 27.83 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6150 156.076873779297 3850.58935546875 5.07 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6151 200.121810913086 2855.59790039062 3.76 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6152 235.118896484375 4956.2041015625 6.52 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6153 253.152420043945 75993.6953125 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6154 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6155 RECORD_TITLE: MZ:253.1517 | RT:131.1 | grpid:254 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6156 MS$FOCUSED_ION: PRECURSOR_M/Z 253.151733398438 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6157 AC$CHROMATOGRAPHY: RETENTION_TIME 131.148558 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6158 XCMS groupid (grpid): 254 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6159 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6160 PK$NUM_PEAK: 13 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6161 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6162 107.339874267578 2320.88403320312 2.8 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6163 110.071655273438 38185.00390625 46.14 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6164 115.528038024902 2485.31811523438 3 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6165 124.155448913574 2436.33129882812 2.94 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6166 140.068161010742 36911.69921875 44.6 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6167 153.270446777344 2888.85546875 3.49 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6168 154.083755493164 21753.724609375 26.29 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6169 157.152938842773 2905.64404296875 3.51 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6170 169.125030517578 2750.21606445312 3.32 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6171 193.291427612305 2772.30908203125 3.35 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6172 212.793746948242 3007.59448242188 3.63 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6173 235.118835449219 4806.6279296875 5.81 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6174 253.152038574219 82753.3125 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6175 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6176 RECORD_TITLE: MZ:253.1517 | RT:131.1 | grpid:254 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6177 MS$FOCUSED_ION: PRECURSOR_M/Z 253.151733398438 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6178 AC$CHROMATOGRAPHY: RETENTION_TIME 131.148558 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6179 XCMS groupid (grpid): 254 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6180 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6181 PK$NUM_PEAK: 13 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6182 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6183 107.339874267578 2320.88403320312 2.8 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6184 110.071655273438 38185.00390625 46.14 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6185 115.528038024902 2485.31811523438 3 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6186 124.155448913574 2436.33129882812 2.94 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6187 140.068161010742 36911.69921875 44.6 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6188 153.270446777344 2888.85546875 3.49 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6189 154.083755493164 21753.724609375 26.29 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6190 157.152938842773 2905.64404296875 3.51 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6191 169.125030517578 2750.21606445312 3.32 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6192 193.291427612305 2772.30908203125 3.35 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6193 212.793746948242 3007.59448242188 3.63 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6194 235.118835449219 4806.6279296875 5.81 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6195 253.152038574219 82753.3125 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6196 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6197 RECORD_TITLE: MZ:260.1601 | RT:64.4 | grpid:268 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6198 MS$FOCUSED_ION: PRECURSOR_M/Z 260.160125732422 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6199 AC$CHROMATOGRAPHY: RETENTION_TIME 64.427298 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6200 XCMS groupid (grpid): 268 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6201 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6202 PK$NUM_PEAK: 26 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6203 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6204 101.07137298584 280288.875 6.67 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6205 101.107879638672 14493.677734375 0.34 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6206 102.055473327637 40350.5546875 0.96 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6207 119.675964355469 7883.43505859375 0.19 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6208 129.066162109375 13079.0908203125 0.31 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6209 129.102386474609 294917.53125 7.02 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6210 130.049942016602 3864012.5 91.96 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6211 130.086303710938 464072.625 11.04 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6212 131.117935180664 74113.953125 1.76 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6213 143.117980957031 38161.6953125 0.91 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6214 147.076354980469 4201919 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6215 147.112686157227 565772.5625 13.46 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6216 148.060821533203 6235.46240234375 0.15 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6217 161.09228515625 27004.091796875 0.64 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6218 166.086303710938 9206.0458984375 0.22 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6219 171.07633972168 26625.2421875 0.63 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6220 171.112579345703 10242.2236328125 0.24 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6221 178.009323120117 6111.0908203125 0.15 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6222 197.128372192383 6746.4931640625 0.16 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6223 208.096313476562 9383.1396484375 0.22 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6224 225.12287902832 9742.6796875 0.23 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6225 242.149032592773 7226.04052734375 0.17 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6226 242.186050415039 9920.556640625 0.24 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6227 243.13330078125 58166.73828125 1.38 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6228 260.160217285156 158789.859375 3.78 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6229 260.195007324219 65784.90625 1.57 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6230 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6231 RECORD_TITLE: MZ:260.1601 | RT:64.4 | grpid:268 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6232 MS$FOCUSED_ION: PRECURSOR_M/Z 260.160125732422 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6233 AC$CHROMATOGRAPHY: RETENTION_TIME 64.427298 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6234 XCMS groupid (grpid): 268 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6235 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6236 PK$NUM_PEAK: 26 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6237 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6238 101.07137298584 280288.875 6.67 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6239 101.107879638672 14493.677734375 0.34 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6240 102.055473327637 40350.5546875 0.96 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6241 119.675964355469 7883.43505859375 0.19 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6242 129.066162109375 13079.0908203125 0.31 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6243 129.102386474609 294917.53125 7.02 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6244 130.049942016602 3864012.5 91.96 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6245 130.086303710938 464072.625 11.04 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6246 131.117935180664 74113.953125 1.76 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6247 143.117980957031 38161.6953125 0.91 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6248 147.076354980469 4201919 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6249 147.112686157227 565772.5625 13.46 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6250 148.060821533203 6235.46240234375 0.15 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6251 161.09228515625 27004.091796875 0.64 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6252 166.086303710938 9206.0458984375 0.22 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6253 171.07633972168 26625.2421875 0.63 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6254 171.112579345703 10242.2236328125 0.24 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6255 178.009323120117 6111.0908203125 0.15 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6256 197.128372192383 6746.4931640625 0.16 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6257 208.096313476562 9383.1396484375 0.22 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6258 225.12287902832 9742.6796875 0.23 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6259 242.149032592773 7226.04052734375 0.17 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6260 242.186050415039 9920.556640625 0.24 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6261 243.13330078125 58166.73828125 1.38 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6262 260.160217285156 158789.859375 3.78 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6263 260.195007324219 65784.90625 1.57 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6264 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6265 RECORD_TITLE: MZ:260.16 | RT:64.4 | grpid:268 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6266 MS$FOCUSED_ION: PRECURSOR_M/Z 260.160003662109 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6267 AC$CHROMATOGRAPHY: RETENTION_TIME 64.427298 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6268 XCMS groupid (grpid): 268 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6269 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6270 PK$NUM_PEAK: 24 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6271 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6272 101.07137298584 224546.640625 8.01 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6273 102.055267333984 29658.279296875 1.06 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6274 112.051231384277 7085.35498046875 0.25 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6275 114.091888427734 8279.0263671875 0.3 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6276 114.110542297363 7814.45751953125 0.28 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6277 129.102462768555 87336.734375 3.12 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6278 130.04997253418 2701107.5 96.37 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6279 130.086471557617 139307.140625 4.97 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6280 131.118087768555 131697.203125 4.7 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6281 143.117721557617 124180.6640625 4.43 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6282 147.076385498047 2802757.75 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6283 147.112548828125 145469.890625 5.19 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6284 158.389617919922 7773.4794921875 0.28 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6285 171.076889038086 8325.7744140625 0.3 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6286 181.200134277344 7045.78857421875 0.25 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6287 194.947174072266 7624.8994140625 0.27 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6288 208.095809936523 13188.5107421875 0.47 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6289 215.139511108398 10435.6884765625 0.37 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6290 225.123046875 10780.173828125 0.38 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6291 226.107299804688 35852.796875 1.28 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6292 231.508926391602 8413.22265625 0.3 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6293 243.133453369141 64434.46875 2.3 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6294 260.160186767578 128216.2578125 4.57 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6295 260.197235107422 14137.32421875 0.5 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6296 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6297 RECORD_TITLE: MZ:260.16 | RT:64.4 | grpid:268 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6298 MS$FOCUSED_ION: PRECURSOR_M/Z 260.160003662109 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6299 AC$CHROMATOGRAPHY: RETENTION_TIME 64.427298 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6300 XCMS groupid (grpid): 268 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6301 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6302 PK$NUM_PEAK: 24 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6303 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6304 101.07137298584 224546.640625 8.01 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6305 102.055267333984 29658.279296875 1.06 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6306 112.051231384277 7085.35498046875 0.25 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6307 114.091888427734 8279.0263671875 0.3 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6308 114.110542297363 7814.45751953125 0.28 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6309 129.102462768555 87336.734375 3.12 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6310 130.04997253418 2701107.5 96.37 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6311 130.086471557617 139307.140625 4.97 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6312 131.118087768555 131697.203125 4.7 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6313 143.117721557617 124180.6640625 4.43 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6314 147.076385498047 2802757.75 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6315 147.112548828125 145469.890625 5.19 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6316 158.389617919922 7773.4794921875 0.28 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6317 171.076889038086 8325.7744140625 0.3 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6318 181.200134277344 7045.78857421875 0.25 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6319 194.947174072266 7624.8994140625 0.27 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6320 208.095809936523 13188.5107421875 0.47 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6321 215.139511108398 10435.6884765625 0.37 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6322 225.123046875 10780.173828125 0.38 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6323 226.107299804688 35852.796875 1.28 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6324 231.508926391602 8413.22265625 0.3 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6325 243.133453369141 64434.46875 2.3 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6326 260.160186767578 128216.2578125 4.57 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6327 260.197235107422 14137.32421875 0.5 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6328 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6329 RECORD_TITLE: MZ:260.16 | RT:64.4 | grpid:268 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6330 MS$FOCUSED_ION: PRECURSOR_M/Z 260.160034179688 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6331 AC$CHROMATOGRAPHY: RETENTION_TIME 64.427298 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6332 XCMS groupid (grpid): 268 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6333 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6334 PK$NUM_PEAK: 24 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6335 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6336 101.071243286133 21230.083984375 5.44 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6337 102.055603027344 3450.02783203125 0.88 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6338 115.086975097656 46859.32421875 12 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6339 118.086524963379 23143.521484375 5.93 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6340 118.568099975586 3152.3857421875 0.81 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6341 129.066696166992 3741.62866210938 0.96 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6342 129.102340698242 32777.5 8.4 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6343 130.049942016602 377746.46875 96.75 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6344 130.086547851562 31525.72265625 8.07 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6345 131.118072509766 23066.568359375 5.91 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6346 132.102325439453 10983.666015625 2.81 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6347 143.081283569336 21082.5859375 5.4 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6348 143.117904663086 89486.7578125 22.92 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6349 146.471817016602 3306.50903320312 0.85 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6350 147.076324462891 390431.5625 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6351 147.112655639648 35579.2109375 9.11 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6352 157.133560180664 55436.7109375 14.2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6353 171.112564086914 14304.3427734375 3.66 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6354 185.127960205078 21172.015625 5.42 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6355 189.123489379883 16197.6220703125 4.15 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6356 197.128952026367 11657.0009765625 2.99 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6357 243.133834838867 14146.515625 3.62 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6358 260.159088134766 20881.486328125 5.35 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6359 260.196716308594 5354.4638671875 1.37 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6360 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6361 RECORD_TITLE: MZ:260.16 | RT:64.4 | grpid:268 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6362 MS$FOCUSED_ION: PRECURSOR_M/Z 260.160034179688 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6363 AC$CHROMATOGRAPHY: RETENTION_TIME 64.427298 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6364 XCMS groupid (grpid): 268 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6365 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6366 PK$NUM_PEAK: 24 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6367 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6368 101.071243286133 21230.083984375 5.44 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6369 102.055603027344 3450.02783203125 0.88 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6370 115.086975097656 46859.32421875 12 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6371 118.086524963379 23143.521484375 5.93 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6372 118.568099975586 3152.3857421875 0.81 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6373 129.066696166992 3741.62866210938 0.96 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6374 129.102340698242 32777.5 8.4 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6375 130.049942016602 377746.46875 96.75 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6376 130.086547851562 31525.72265625 8.07 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6377 131.118072509766 23066.568359375 5.91 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6378 132.102325439453 10983.666015625 2.81 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6379 143.081283569336 21082.5859375 5.4 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6380 143.117904663086 89486.7578125 22.92 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6381 146.471817016602 3306.50903320312 0.85 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6382 147.076324462891 390431.5625 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6383 147.112655639648 35579.2109375 9.11 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6384 157.133560180664 55436.7109375 14.2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6385 171.112564086914 14304.3427734375 3.66 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6386 185.127960205078 21172.015625 5.42 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6387 189.123489379883 16197.6220703125 4.15 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6388 197.128952026367 11657.0009765625 2.99 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6389 243.133834838867 14146.515625 3.62 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6390 260.159088134766 20881.486328125 5.35 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6391 260.196716308594 5354.4638671875 1.37 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6392 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6393 RECORD_TITLE: MZ:260.1601 | RT:64.4 | grpid:268 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6394 MS$FOCUSED_ION: PRECURSOR_M/Z 260.160125732422 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6395 AC$CHROMATOGRAPHY: RETENTION_TIME 64.427298 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6396 XCMS groupid (grpid): 268 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6397 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6398 PK$NUM_PEAK: 38 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6399 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6400 101.071380615234 133178.875 17.3 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6401 101.107894897461 24495.18359375 3.18 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6402 112.039588928223 4506.56640625 0.59 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6403 112.076057434082 5004.548828125 0.65 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6404 113.071029663086 5232.271484375 0.68 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6405 115.086494445801 3500.18920898438 0.45 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6406 126.05509185791 4907.42333984375 0.64 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6407 128.082641601562 3512.9404296875 0.46 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6408 129.056106567383 7475.19091796875 0.97 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6409 129.065933227539 276732.9375 35.95 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6410 129.102294921875 60504.08203125 7.86 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6411 130.049957275391 26949.51171875 3.5 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6412 130.08625793457 27750.23046875 3.61 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6413 132.101928710938 370625.5625 48.15 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6414 135.177505493164 3377.52880859375 0.44 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6415 141.065948486328 8159.033203125 1.06 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6416 143.11897277832 4787.7294921875 0.62 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6417 147.076416015625 62682.89453125 8.14 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6418 147.112609863281 38620.87890625 5.02 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6419 152.106964111328 7154.951171875 0.93 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6420 157.133438110352 79586.5703125 10.34 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6421 169.133697509766 30159.82421875 3.92 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6422 175.616348266602 3355.13818359375 0.44 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6423 185.129165649414 23234.431640625 3.02 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6424 185.142684936523 3643.89672851562 0.47 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6425 196.144348144531 242406.390625 31.49 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6426 197.128341674805 694670.625 90.26 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6427 198.112731933594 15789.3916015625 2.05 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6428 214.155380249023 12441.158203125 1.62 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6429 224.791091918945 3053.37255859375 0.4 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6430 225.123092651367 23662.498046875 3.07 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6431 242.149688720703 769670.6875 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6432 243.133697509766 162677.0625 21.14 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6433 243.170104980469 35359.23046875 4.59 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6434 257.604095458984 4091.0478515625 0.53 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6435 260.1064453125 5038.6826171875 0.65 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6436 260.196746826172 36750.984375 4.77 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6437 284.158905029297 4032.54028320312 0.52 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6438 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6439 RECORD_TITLE: MZ:260.1601 | RT:64.4 | grpid:268 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6440 MS$FOCUSED_ION: PRECURSOR_M/Z 260.160125732422 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6441 AC$CHROMATOGRAPHY: RETENTION_TIME 64.427298 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6442 XCMS groupid (grpid): 268 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6443 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6444 PK$NUM_PEAK: 38 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6445 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6446 101.071380615234 133178.875 17.3 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6447 101.107894897461 24495.18359375 3.18 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6448 112.039588928223 4506.56640625 0.59 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6449 112.076057434082 5004.548828125 0.65 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6450 113.071029663086 5232.271484375 0.68 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6451 115.086494445801 3500.18920898438 0.45 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6452 126.05509185791 4907.42333984375 0.64 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6453 128.082641601562 3512.9404296875 0.46 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6454 129.056106567383 7475.19091796875 0.97 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6455 129.065933227539 276732.9375 35.95 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6456 129.102294921875 60504.08203125 7.86 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6457 130.049957275391 26949.51171875 3.5 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6458 130.08625793457 27750.23046875 3.61 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6459 132.101928710938 370625.5625 48.15 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6460 135.177505493164 3377.52880859375 0.44 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6461 141.065948486328 8159.033203125 1.06 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6462 143.11897277832 4787.7294921875 0.62 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6463 147.076416015625 62682.89453125 8.14 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6464 147.112609863281 38620.87890625 5.02 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6465 152.106964111328 7154.951171875 0.93 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6466 157.133438110352 79586.5703125 10.34 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6467 169.133697509766 30159.82421875 3.92 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6468 175.616348266602 3355.13818359375 0.44 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6469 185.129165649414 23234.431640625 3.02 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6470 185.142684936523 3643.89672851562 0.47 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6471 196.144348144531 242406.390625 31.49 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6472 197.128341674805 694670.625 90.26 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6473 198.112731933594 15789.3916015625 2.05 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6474 214.155380249023 12441.158203125 1.62 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6475 224.791091918945 3053.37255859375 0.4 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6476 225.123092651367 23662.498046875 3.07 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6477 242.149688720703 769670.6875 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6478 243.133697509766 162677.0625 21.14 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6479 243.170104980469 35359.23046875 4.59 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6480 257.604095458984 4091.0478515625 0.53 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6481 260.1064453125 5038.6826171875 0.65 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6482 260.196746826172 36750.984375 4.77 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6483 284.158905029297 4032.54028320312 0.52 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6484 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6485 RECORD_TITLE: MZ:260.16 | RT:64.4 | grpid:268 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6486 MS$FOCUSED_ION: PRECURSOR_M/Z 260.160034179688 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6487 AC$CHROMATOGRAPHY: RETENTION_TIME 64.427298 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6488 XCMS groupid (grpid): 268 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6489 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6490 PK$NUM_PEAK: 19 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6491 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6492 101.071250915527 18589.9921875 17.74 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6493 101.107902526855 4691.70458984375 4.48 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6494 117.731323242188 2677.47290039062 2.56 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6495 129.065887451172 32269.685546875 30.8 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6496 129.102020263672 27557.943359375 26.3 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6497 130.049911499023 4742.4462890625 4.53 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6498 130.086471557617 4892.33154296875 4.67 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6499 132.101867675781 51591.41796875 49.25 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6500 147.076293945312 33524.60546875 32 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6501 147.112808227539 15120.2451171875 14.43 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6502 157.133422851562 54931.6953125 52.43 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6503 185.128509521484 17955.962890625 17.14 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6504 196.144332885742 28074.05859375 26.8 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6505 197.128387451172 91723.1875 87.55 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6506 242.149826049805 104763.1953125 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6507 243.134033203125 18298.615234375 17.47 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6508 243.169830322266 12057.4189453125 11.51 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6509 254.267532348633 3362.4521484375 3.21 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6510 260.196075439453 14846.7978515625 14.17 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6511 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6512 RECORD_TITLE: MZ:260.16 | RT:64.4 | grpid:268 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6513 MS$FOCUSED_ION: PRECURSOR_M/Z 260.160034179688 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6514 AC$CHROMATOGRAPHY: RETENTION_TIME 64.427298 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6515 XCMS groupid (grpid): 268 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6516 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6517 PK$NUM_PEAK: 19 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6518 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6519 101.071250915527 18589.9921875 17.74 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6520 101.107902526855 4691.70458984375 4.48 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6521 117.731323242188 2677.47290039062 2.56 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6522 129.065887451172 32269.685546875 30.8 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6523 129.102020263672 27557.943359375 26.3 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6524 130.049911499023 4742.4462890625 4.53 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6525 130.086471557617 4892.33154296875 4.67 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6526 132.101867675781 51591.41796875 49.25 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6527 147.076293945312 33524.60546875 32 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6528 147.112808227539 15120.2451171875 14.43 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6529 157.133422851562 54931.6953125 52.43 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6530 185.128509521484 17955.962890625 17.14 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6531 196.144332885742 28074.05859375 26.8 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6532 197.128387451172 91723.1875 87.55 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6533 242.149826049805 104763.1953125 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6534 243.134033203125 18298.615234375 17.47 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6535 243.169830322266 12057.4189453125 11.51 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6536 254.267532348633 3362.4521484375 3.21 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6537 260.196075439453 14846.7978515625 14.17 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6538 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6539 RECORD_TITLE: MZ:260.1601 | RT:64.4 | grpid:268 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6540 MS$FOCUSED_ION: PRECURSOR_M/Z 260.160095214844 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6541 AC$CHROMATOGRAPHY: RETENTION_TIME 64.427298 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6542 XCMS groupid (grpid): 268 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6543 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6544 PK$NUM_PEAK: 34 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6545 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6546 101.07137298584 186066.078125 17.82 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6547 101.107734680176 6916.6748046875 0.66 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6548 111.05541229248 3971.5546875 0.38 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6549 113.071220397949 23820.638671875 2.28 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6550 120.375061035156 3358.67749023438 0.32 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6551 126.055755615234 3003.1083984375 0.29 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6552 129.066055297852 119070.0234375 11.41 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6553 129.101837158203 23237.716796875 2.23 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6554 129.405639648438 3114.65234375 0.3 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6555 130.049850463867 14746.5341796875 1.41 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6556 130.086563110352 4740.45068359375 0.45 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6557 132.101959228516 758963.125 72.7 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6558 141.065704345703 66827.3046875 6.4 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6559 142.050109863281 6317.927734375 0.61 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6560 147.06591796875 3365.11987304688 0.32 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6561 147.075698852539 23133.81640625 2.22 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6562 147.112731933594 15049.09375 1.44 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6563 152.107147216797 19980.48828125 1.91 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6564 155.081329345703 5665.822265625 0.54 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6565 157.133239746094 31086.310546875 2.98 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6566 185.128707885742 6831.24951171875 0.65 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6567 196.126098632812 7020.875 0.67 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6568 196.144393920898 224106.953125 21.47 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6569 197.128387451172 661679.5 63.38 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6570 198.112091064453 37769.45703125 3.62 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6571 202.619400024414 3764.51123046875 0.36 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6572 214.155349731445 6620.1611328125 0.63 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6573 225.12321472168 45129.640625 4.32 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6574 242.149719238281 1044009.75 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6575 243.133697509766 283573.6875 27.16 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6576 243.171524047852 14989.9306640625 1.44 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6577 260.160430908203 7387.98095703125 0.71 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6578 260.19677734375 15505.5068359375 1.49 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6579 280.563995361328 3548.77075195312 0.34 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6580 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6581 RECORD_TITLE: MZ:260.1601 | RT:64.4 | grpid:268 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6582 MS$FOCUSED_ION: PRECURSOR_M/Z 260.160095214844 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6583 AC$CHROMATOGRAPHY: RETENTION_TIME 64.427298 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6584 XCMS groupid (grpid): 268 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6585 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6586 PK$NUM_PEAK: 34 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6587 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6588 101.07137298584 186066.078125 17.82 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6589 101.107734680176 6916.6748046875 0.66 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6590 111.05541229248 3971.5546875 0.38 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6591 113.071220397949 23820.638671875 2.28 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6592 120.375061035156 3358.67749023438 0.32 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6593 126.055755615234 3003.1083984375 0.29 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6594 129.066055297852 119070.0234375 11.41 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6595 129.101837158203 23237.716796875 2.23 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6596 129.405639648438 3114.65234375 0.3 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6597 130.049850463867 14746.5341796875 1.41 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6598 130.086563110352 4740.45068359375 0.45 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6599 132.101959228516 758963.125 72.7 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6600 141.065704345703 66827.3046875 6.4 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6601 142.050109863281 6317.927734375 0.61 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6602 147.06591796875 3365.11987304688 0.32 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6603 147.075698852539 23133.81640625 2.22 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6604 147.112731933594 15049.09375 1.44 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6605 152.107147216797 19980.48828125 1.91 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6606 155.081329345703 5665.822265625 0.54 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6607 157.133239746094 31086.310546875 2.98 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6608 185.128707885742 6831.24951171875 0.65 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6609 196.126098632812 7020.875 0.67 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6610 196.144393920898 224106.953125 21.47 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6611 197.128387451172 661679.5 63.38 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6612 198.112091064453 37769.45703125 3.62 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6613 202.619400024414 3764.51123046875 0.36 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6614 214.155349731445 6620.1611328125 0.63 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6615 225.12321472168 45129.640625 4.32 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6616 242.149719238281 1044009.75 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6617 243.133697509766 283573.6875 27.16 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6618 243.171524047852 14989.9306640625 1.44 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6619 260.160430908203 7387.98095703125 0.71 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6620 260.19677734375 15505.5068359375 1.49 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6621 280.563995361328 3548.77075195312 0.34 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6622 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6623 RECORD_TITLE: MZ:260.1602 | RT:64.6 | grpid:268 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6624 MS$FOCUSED_ION: PRECURSOR_M/Z 260.16015625 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6625 AC$CHROMATOGRAPHY: RETENTION_TIME 64.605414 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6626 XCMS groupid (grpid): 268 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6627 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6628 PK$NUM_PEAK: 27 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6629 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6630 101.07137298584 78079.046875 7.39 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6631 101.108123779297 4978.68017578125 0.47 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6632 102.055351257324 6781.66162109375 0.64 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6633 108.04483795166 4930.67626953125 0.47 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6634 123.25439453125 3607.03344726562 0.34 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6635 126.055252075195 5807.98095703125 0.55 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6636 129.102340698242 111243.2109375 10.52 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6637 130.04997253418 997116.125 94.34 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6638 130.086273193359 167884.03125 15.88 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6639 131.118057250977 18706.990234375 1.77 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6640 143.109237670898 2796.21264648438 0.26 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6641 143.117858886719 111415.046875 10.54 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6642 147.076400756836 1056949.875 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6643 147.11279296875 217695.78125 20.6 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6644 157.096557617188 5848.45654296875 0.55 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6645 161.091979980469 67158.9140625 6.35 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6646 171.076461791992 5268.70166015625 0.5 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6647 171.112945556641 37266.875 3.53 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6648 173.092041015625 7533.43994140625 0.71 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6649 186.686386108398 3445.04028320312 0.33 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6650 215.138916015625 3614.59008789062 0.34 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6651 233.687118530273 3253.4853515625 0.31 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6652 241.755889892578 3325.24536132812 0.31 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6653 243.1328125 14557.9892578125 1.38 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6654 243.371932983398 3638.29248046875 0.34 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6655 260.160797119141 29067.166015625 2.75 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6656 260.195587158203 24704.6015625 2.34 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6657 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6658 RECORD_TITLE: MZ:260.1602 | RT:64.6 | grpid:268 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6659 MS$FOCUSED_ION: PRECURSOR_M/Z 260.16015625 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6660 AC$CHROMATOGRAPHY: RETENTION_TIME 64.605414 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6661 XCMS groupid (grpid): 268 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6662 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6663 PK$NUM_PEAK: 27 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6664 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6665 101.07137298584 78079.046875 7.39 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6666 101.108123779297 4978.68017578125 0.47 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6667 102.055351257324 6781.66162109375 0.64 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6668 108.04483795166 4930.67626953125 0.47 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6669 123.25439453125 3607.03344726562 0.34 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6670 126.055252075195 5807.98095703125 0.55 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6671 129.102340698242 111243.2109375 10.52 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6672 130.04997253418 997116.125 94.34 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6673 130.086273193359 167884.03125 15.88 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6674 131.118057250977 18706.990234375 1.77 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6675 143.109237670898 2796.21264648438 0.26 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6676 143.117858886719 111415.046875 10.54 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6677 147.076400756836 1056949.875 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6678 147.11279296875 217695.78125 20.6 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6679 157.096557617188 5848.45654296875 0.55 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6680 161.091979980469 67158.9140625 6.35 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6681 171.076461791992 5268.70166015625 0.5 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6682 171.112945556641 37266.875 3.53 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6683 173.092041015625 7533.43994140625 0.71 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6684 186.686386108398 3445.04028320312 0.33 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6685 215.138916015625 3614.59008789062 0.34 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6686 233.687118530273 3253.4853515625 0.31 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6687 241.755889892578 3325.24536132812 0.31 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6688 243.1328125 14557.9892578125 1.38 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6689 243.371932983398 3638.29248046875 0.34 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6690 260.160797119141 29067.166015625 2.75 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6691 260.195587158203 24704.6015625 2.34 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6692 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6693 RECORD_TITLE: MZ:260.1601 | RT:64.6 | grpid:268 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6694 MS$FOCUSED_ION: PRECURSOR_M/Z 260.160125732422 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6695 AC$CHROMATOGRAPHY: RETENTION_TIME 64.605414 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6696 XCMS groupid (grpid): 268 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6697 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6698 PK$NUM_PEAK: 26 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6699 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6700 101.071365356445 273174.84375 5.97 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6701 101.108093261719 12095.40625 0.26 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6702 102.05549621582 42987.79296875 0.94 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6703 114.091529846191 6941.03369140625 0.15 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6704 129.102386474609 280601.75 6.14 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6705 130.04997253418 4057672.25 88.73 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6706 130.086303710938 442964.03125 9.69 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6707 131.118087768555 118152.0234375 2.58 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6708 143.117980957031 41353.57421875 0.9 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6709 147.076416015625 4573041.5 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6710 147.112731933594 538298.125 11.77 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6711 152.067001342773 7151.61181640625 0.16 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6712 161.092346191406 29531.5859375 0.65 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6713 166.086578369141 11339.7890625 0.25 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6714 171.076141357422 8045.1806640625 0.18 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6715 171.112747192383 8939.115234375 0.2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6716 197.129119873047 15188.845703125 0.33 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6717 208.096954345703 14873.140625 0.33 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6718 225.121765136719 12162.9677734375 0.27 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6719 225.160751342773 8003.52099609375 0.18 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6720 226.107391357422 7962.37255859375 0.17 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6721 242.185470581055 8664.158203125 0.19 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6722 243.133361816406 71680.4296875 1.57 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6723 249.004531860352 8383.3125 0.18 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6724 260.160278320312 153376.6875 3.35 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6725 260.196014404297 57948.74609375 1.27 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6726 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6727 RECORD_TITLE: MZ:260.1601 | RT:64.6 | grpid:268 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6728 MS$FOCUSED_ION: PRECURSOR_M/Z 260.160125732422 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6729 AC$CHROMATOGRAPHY: RETENTION_TIME 64.605414 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6730 XCMS groupid (grpid): 268 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6731 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6732 PK$NUM_PEAK: 26 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6733 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6734 101.071365356445 273174.84375 5.97 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6735 101.108093261719 12095.40625 0.26 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6736 102.05549621582 42987.79296875 0.94 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6737 114.091529846191 6941.03369140625 0.15 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6738 129.102386474609 280601.75 6.14 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6739 130.04997253418 4057672.25 88.73 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6740 130.086303710938 442964.03125 9.69 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6741 131.118087768555 118152.0234375 2.58 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6742 143.117980957031 41353.57421875 0.9 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6743 147.076416015625 4573041.5 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6744 147.112731933594 538298.125 11.77 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6745 152.067001342773 7151.61181640625 0.16 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6746 161.092346191406 29531.5859375 0.65 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6747 166.086578369141 11339.7890625 0.25 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6748 171.076141357422 8045.1806640625 0.18 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6749 171.112747192383 8939.115234375 0.2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6750 197.129119873047 15188.845703125 0.33 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6751 208.096954345703 14873.140625 0.33 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6752 225.121765136719 12162.9677734375 0.27 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6753 225.160751342773 8003.52099609375 0.18 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6754 226.107391357422 7962.37255859375 0.17 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6755 242.185470581055 8664.158203125 0.19 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6756 243.133361816406 71680.4296875 1.57 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6757 249.004531860352 8383.3125 0.18 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6758 260.160278320312 153376.6875 3.35 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6759 260.196014404297 57948.74609375 1.27 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6760 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6761 RECORD_TITLE: MZ:260.1601 | RT:64.6 | grpid:268 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6762 MS$FOCUSED_ION: PRECURSOR_M/Z 260.160064697266 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6763 AC$CHROMATOGRAPHY: RETENTION_TIME 64.605414 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6764 XCMS groupid (grpid): 268 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6765 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6766 PK$NUM_PEAK: 23 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6767 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6768 100.075759887695 4655.73388671875 0.33 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6769 101.071403503418 99811.4140625 7 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6770 102.055648803711 22510.1015625 1.58 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6771 112.05061340332 7813.32373046875 0.55 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6772 114.049842834473 4228.123046875 0.3 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6773 115.087005615234 5314.89208984375 0.37 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6774 117.218780517578 4574.49560546875 0.32 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6775 126.055198669434 5737.7353515625 0.4 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6776 129.102386474609 49068.80859375 3.44 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6777 130.049987792969 1419006 99.57 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6778 130.086410522461 64953.04296875 4.56 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6779 131.117919921875 83925.2265625 5.89 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6780 143.117950439453 174695.984375 12.26 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6781 147.076400756836 1425149.125 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6782 147.11279296875 69910.6953125 4.91 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6783 171.076812744141 5204.146484375 0.37 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6784 171.112518310547 22052.43359375 1.55 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6785 189.122955322266 9138.876953125 0.64 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6786 208.096389770508 18766.92578125 1.32 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6787 226.106857299805 10009.373046875 0.7 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6788 243.133804321289 43609.92578125 3.06 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6789 260.160064697266 64525.95703125 4.53 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6790 260.198547363281 14836.2451171875 1.04 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6791 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6792 RECORD_TITLE: MZ:260.1601 | RT:64.6 | grpid:268 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6793 MS$FOCUSED_ION: PRECURSOR_M/Z 260.160064697266 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6794 AC$CHROMATOGRAPHY: RETENTION_TIME 64.605414 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6795 XCMS groupid (grpid): 268 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6796 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6797 PK$NUM_PEAK: 23 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6798 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6799 100.075759887695 4655.73388671875 0.33 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6800 101.071403503418 99811.4140625 7 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6801 102.055648803711 22510.1015625 1.58 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6802 112.05061340332 7813.32373046875 0.55 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6803 114.049842834473 4228.123046875 0.3 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6804 115.087005615234 5314.89208984375 0.37 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6805 117.218780517578 4574.49560546875 0.32 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6806 126.055198669434 5737.7353515625 0.4 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6807 129.102386474609 49068.80859375 3.44 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6808 130.049987792969 1419006 99.57 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6809 130.086410522461 64953.04296875 4.56 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6810 131.117919921875 83925.2265625 5.89 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6811 143.117950439453 174695.984375 12.26 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6812 147.076400756836 1425149.125 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6813 147.11279296875 69910.6953125 4.91 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6814 171.076812744141 5204.146484375 0.37 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6815 171.112518310547 22052.43359375 1.55 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6816 189.122955322266 9138.876953125 0.64 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6817 208.096389770508 18766.92578125 1.32 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6818 226.106857299805 10009.373046875 0.7 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6819 243.133804321289 43609.92578125 3.06 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6820 260.160064697266 64525.95703125 4.53 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6821 260.198547363281 14836.2451171875 1.04 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6822 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6823 RECORD_TITLE: MZ:260.1601 | RT:64.6 | grpid:268 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6824 MS$FOCUSED_ION: PRECURSOR_M/Z 260.160064697266 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6825 AC$CHROMATOGRAPHY: RETENTION_TIME 64.605414 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6826 XCMS groupid (grpid): 268 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6827 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6828 PK$NUM_PEAK: 23 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6829 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6830 101.071304321289 23766.716796875 5.74 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6831 115.086822509766 50466.89453125 12.19 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6832 118.08674621582 22815.67578125 5.51 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6833 129.067642211914 3240.80151367188 0.78 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6834 129.102081298828 26455.953125 6.39 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6835 130.049942016602 350858.28125 84.74 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6836 130.086013793945 24525.548828125 5.92 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6837 131.118103027344 15656.2802734375 3.78 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6838 132.101745605469 5210.13525390625 1.26 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6839 143.081634521484 15146.9599609375 3.66 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6840 143.117736816406 102293.5859375 24.71 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6841 147.076354980469 414016.6875 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6842 147.112609863281 35867.48046875 8.66 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6843 157.13346862793 70325.6953125 16.99 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6844 171.112945556641 18013.8828125 4.35 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6845 181.151321411133 2798.208984375 0.68 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6846 185.128173828125 22186.44921875 5.36 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6847 189.123397827148 14666.41015625 3.54 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6848 197.128433227539 6525.52685546875 1.58 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6849 242.148422241211 4731.291015625 1.14 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6850 243.132232666016 5274.1142578125 1.27 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6851 260.160064697266 14618.138671875 3.53 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6852 260.19677734375 5998.279296875 1.45 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6853 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6854 RECORD_TITLE: MZ:260.1601 | RT:64.6 | grpid:268 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6855 MS$FOCUSED_ION: PRECURSOR_M/Z 260.160064697266 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6856 AC$CHROMATOGRAPHY: RETENTION_TIME 64.605414 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6857 XCMS groupid (grpid): 268 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6858 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6859 PK$NUM_PEAK: 23 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6860 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6861 101.071304321289 23766.716796875 5.74 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6862 115.086822509766 50466.89453125 12.19 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6863 118.08674621582 22815.67578125 5.51 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6864 129.067642211914 3240.80151367188 0.78 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6865 129.102081298828 26455.953125 6.39 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6866 130.049942016602 350858.28125 84.74 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6867 130.086013793945 24525.548828125 5.92 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6868 131.118103027344 15656.2802734375 3.78 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6869 132.101745605469 5210.13525390625 1.26 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6870 143.081634521484 15146.9599609375 3.66 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6871 143.117736816406 102293.5859375 24.71 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6872 147.076354980469 414016.6875 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6873 147.112609863281 35867.48046875 8.66 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6874 157.13346862793 70325.6953125 16.99 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6875 171.112945556641 18013.8828125 4.35 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6876 181.151321411133 2798.208984375 0.68 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6877 185.128173828125 22186.44921875 5.36 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6878 189.123397827148 14666.41015625 3.54 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6879 197.128433227539 6525.52685546875 1.58 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6880 242.148422241211 4731.291015625 1.14 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6881 243.132232666016 5274.1142578125 1.27 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6882 260.160064697266 14618.138671875 3.53 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6883 260.19677734375 5998.279296875 1.45 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6884 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6885 RECORD_TITLE: MZ:260.16 | RT:64.6 | grpid:268 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6886 MS$FOCUSED_ION: PRECURSOR_M/Z 260.160034179688 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6887 AC$CHROMATOGRAPHY: RETENTION_TIME 64.605414 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6888 XCMS groupid (grpid): 268 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6889 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6890 PK$NUM_PEAK: 25 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6891 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6892 101.071464538574 61937.484375 13.05 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6893 101.107734680176 20074.541015625 4.23 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6894 129.065963745117 151079.796875 31.83 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6895 129.102355957031 44955.78515625 9.47 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6896 130.05029296875 16566.19921875 3.49 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6897 130.086456298828 15828.408203125 3.34 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6898 132.102005004883 199634.28125 42.07 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6899 133.419723510742 2777.17724609375 0.59 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6900 141.065948486328 4040.75415039062 0.85 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6901 147.076400756836 36854.75 7.77 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6902 147.112319946289 36430.6953125 7.68 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6903 152.107162475586 5634.4580078125 1.19 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6904 157.133514404297 51781.74609375 10.91 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6905 169.133804321289 15625.53125 3.29 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6906 176.835144042969 2922.1162109375 0.62 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6907 183.653656005859 3135.40966796875 0.66 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6908 185.129058837891 15618.130859375 3.29 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6909 196.144287109375 145955.578125 30.75 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6910 197.128387451172 402539.03125 84.82 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6911 198.113662719727 5431.46435546875 1.14 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6912 225.123336791992 13575.9990234375 2.86 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6913 242.149765014648 474582.46875 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6914 243.1337890625 92873.828125 19.57 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6915 243.169296264648 28631.462890625 6.03 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6916 260.1962890625 27617.501953125 5.82 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6917 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6918 RECORD_TITLE: MZ:260.16 | RT:64.6 | grpid:268 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6919 MS$FOCUSED_ION: PRECURSOR_M/Z 260.160034179688 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6920 AC$CHROMATOGRAPHY: RETENTION_TIME 64.605414 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6921 XCMS groupid (grpid): 268 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6922 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6923 PK$NUM_PEAK: 25 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6924 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6925 101.071464538574 61937.484375 13.05 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6926 101.107734680176 20074.541015625 4.23 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6927 129.065963745117 151079.796875 31.83 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6928 129.102355957031 44955.78515625 9.47 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6929 130.05029296875 16566.19921875 3.49 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6930 130.086456298828 15828.408203125 3.34 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6931 132.102005004883 199634.28125 42.07 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6932 133.419723510742 2777.17724609375 0.59 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6933 141.065948486328 4040.75415039062 0.85 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6934 147.076400756836 36854.75 7.77 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6935 147.112319946289 36430.6953125 7.68 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6936 152.107162475586 5634.4580078125 1.19 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6937 157.133514404297 51781.74609375 10.91 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6938 169.133804321289 15625.53125 3.29 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6939 176.835144042969 2922.1162109375 0.62 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6940 183.653656005859 3135.40966796875 0.66 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6941 185.129058837891 15618.130859375 3.29 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6942 196.144287109375 145955.578125 30.75 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6943 197.128387451172 402539.03125 84.82 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6944 198.113662719727 5431.46435546875 1.14 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6945 225.123336791992 13575.9990234375 2.86 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6946 242.149765014648 474582.46875 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6947 243.1337890625 92873.828125 19.57 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6948 243.169296264648 28631.462890625 6.03 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6949 260.1962890625 27617.501953125 5.82 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6950 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6951 RECORD_TITLE: MZ:260.16 | RT:64.6 | grpid:268 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6952 MS$FOCUSED_ION: PRECURSOR_M/Z 260.159973144531 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6953 AC$CHROMATOGRAPHY: RETENTION_TIME 64.605414 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6954 XCMS groupid (grpid): 268 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6955 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6956 PK$NUM_PEAK: 21 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6957 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6958 101.071571350098 19042.111328125 15.08 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6959 101.107795715332 10821.4755859375 8.57 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6960 113.813926696777 2932.15478515625 2.32 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6961 129.066024780273 34543.13671875 27.36 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6962 129.102310180664 22668.677734375 17.95 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6963 130.050155639648 4975.9365234375 3.94 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6964 130.086334228516 10617.220703125 8.41 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6965 132.102096557617 53785.2109375 42.59 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6966 147.076370239258 34652.6015625 27.44 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6967 147.11247253418 20063.236328125 15.89 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6968 157.133605957031 60700.27734375 48.07 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6969 169.133392333984 3979.8818359375 3.15 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6970 185.128845214844 21512.177734375 17.04 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6971 196.144271850586 46914.84765625 37.15 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6972 197.128356933594 115787.4375 91.7 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6973 225.125122070312 2980.19384765625 2.36 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6974 232.593536376953 3009.87670898438 2.38 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6975 242.149765014648 126271.609375 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6976 243.134399414062 21099.544921875 16.71 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6977 243.170593261719 14233.880859375 11.27 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6978 260.197143554688 17110.69921875 13.55 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6979 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6980 RECORD_TITLE: MZ:260.16 | RT:64.6 | grpid:268 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6981 MS$FOCUSED_ION: PRECURSOR_M/Z 260.159973144531 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6982 AC$CHROMATOGRAPHY: RETENTION_TIME 64.605414 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6983 XCMS groupid (grpid): 268 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6984 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6985 PK$NUM_PEAK: 21 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6986 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6987 101.071571350098 19042.111328125 15.08 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6988 101.107795715332 10821.4755859375 8.57 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6989 113.813926696777 2932.15478515625 2.32 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6990 129.066024780273 34543.13671875 27.36 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6991 129.102310180664 22668.677734375 17.95 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6992 130.050155639648 4975.9365234375 3.94 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6993 130.086334228516 10617.220703125 8.41 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6994 132.102096557617 53785.2109375 42.59 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6995 147.076370239258 34652.6015625 27.44 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6996 147.11247253418 20063.236328125 15.89 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6997 157.133605957031 60700.27734375 48.07 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6998 169.133392333984 3979.8818359375 3.15 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6999 185.128845214844 21512.177734375 17.04 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7000 196.144271850586 46914.84765625 37.15 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7001 197.128356933594 115787.4375 91.7 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7002 225.125122070312 2980.19384765625 2.36 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7003 232.593536376953 3009.87670898438 2.38 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7004 242.149765014648 126271.609375 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7005 243.134399414062 21099.544921875 16.71 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7006 243.170593261719 14233.880859375 11.27 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7007 260.197143554688 17110.69921875 13.55 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7008 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7009 RECORD_TITLE: MZ:263.196 | RT:74.3 | grpid:278 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7010 MS$FOCUSED_ION: PRECURSOR_M/Z 263.196014404297 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7011 AC$CHROMATOGRAPHY: RETENTION_TIME 74.297424 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7012 XCMS groupid (grpid): 278 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7013 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7014 PK$NUM_PEAK: 14 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7015 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7016 104.229377746582 2670.97973632812 20.32 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7017 125.071014404297 2436.50610351562 18.53 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7018 126.956985473633 2508.49682617188 19.08 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7019 132.101974487305 4779.98095703125 36.36 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7020 142.271881103516 2367.89501953125 18.01 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7021 143.180847167969 2537.232421875 19.3 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7022 143.889801025391 2502.43676757812 19.03 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7023 144.065383911133 4720.419921875 35.91 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7024 147.819519042969 3093.35034179688 23.53 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7025 157.270568847656 2616.5419921875 19.9 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7026 162.076217651367 4974.1162109375 37.84 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7027 181.096832275391 4266.16552734375 32.45 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7028 199.108200073242 13146.6943359375 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7029 215.066757202148 2878.05126953125 21.89 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7030 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7031 RECORD_TITLE: MZ:263.196 | RT:74.3 | grpid:278 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7032 MS$FOCUSED_ION: PRECURSOR_M/Z 263.196014404297 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7033 AC$CHROMATOGRAPHY: RETENTION_TIME 74.297424 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7034 XCMS groupid (grpid): 278 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7035 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7036 PK$NUM_PEAK: 14 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7037 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7038 104.229377746582 2670.97973632812 20.32 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7039 125.071014404297 2436.50610351562 18.53 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7040 126.956985473633 2508.49682617188 19.08 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7041 132.101974487305 4779.98095703125 36.36 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7042 142.271881103516 2367.89501953125 18.01 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7043 143.180847167969 2537.232421875 19.3 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7044 143.889801025391 2502.43676757812 19.03 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7045 144.065383911133 4720.419921875 35.91 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7046 147.819519042969 3093.35034179688 23.53 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7047 157.270568847656 2616.5419921875 19.9 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7048 162.076217651367 4974.1162109375 37.84 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7049 181.096832275391 4266.16552734375 32.45 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7050 199.108200073242 13146.6943359375 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7051 215.066757202148 2878.05126953125 21.89 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7052 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7053 RECORD_TITLE: MZ:263.1961 | RT:74.5 | grpid:278 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7054 MS$FOCUSED_ION: PRECURSOR_M/Z 263.196075439453 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7055 AC$CHROMATOGRAPHY: RETENTION_TIME 74.45592 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7056 XCMS groupid (grpid): 278 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7057 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7058 PK$NUM_PEAK: 12 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7059 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7060 102.054862976074 2515.89672851562 15.73 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7061 107.425888061523 3018.11962890625 18.88 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7062 115.45637512207 3103.68212890625 19.41 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7063 125.070823669434 12441.646484375 77.81 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7064 132.102188110352 11508.607421875 71.97 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7065 144.065383911133 3684.8544921875 23.05 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7066 153.460296630859 2812.95043945312 17.59 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7067 162.076293945312 5988.267578125 37.45 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7068 171.07600402832 5756.02001953125 36 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7069 181.097198486328 4367.5654296875 27.31 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7070 199.107574462891 15989.814453125 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7071 263.089477539062 2743.9130859375 17.16 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7072 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7073 RECORD_TITLE: MZ:263.1961 | RT:74.5 | grpid:278 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7074 MS$FOCUSED_ION: PRECURSOR_M/Z 263.196075439453 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7075 AC$CHROMATOGRAPHY: RETENTION_TIME 74.45592 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7076 XCMS groupid (grpid): 278 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7077 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7078 PK$NUM_PEAK: 12 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7079 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7080 102.054862976074 2515.89672851562 15.73 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7081 107.425888061523 3018.11962890625 18.88 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7082 115.45637512207 3103.68212890625 19.41 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7083 125.070823669434 12441.646484375 77.81 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7084 132.102188110352 11508.607421875 71.97 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7085 144.065383911133 3684.8544921875 23.05 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7086 153.460296630859 2812.95043945312 17.59 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7087 162.076293945312 5988.267578125 37.45 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7088 171.07600402832 5756.02001953125 36 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7089 181.097198486328 4367.5654296875 27.31 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7090 199.107574462891 15989.814453125 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7091 263.089477539062 2743.9130859375 17.16 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7092 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7093 RECORD_TITLE: MZ:265.0696 | RT:46.2 | grpid:282 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7094 MS$FOCUSED_ION: PRECURSOR_M/Z 265.069580078125 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7095 AC$CHROMATOGRAPHY: RETENTION_TIME 46.161033 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7096 XCMS groupid (grpid): 282 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7097 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7098 PK$NUM_PEAK: 23 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7099 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7100 100.917625427246 6046.6025390625 8.42 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7101 114.893188476562 23901.982421875 33.29 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7102 120.00350189209 50695.48046875 70.6 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7103 120.011451721191 4107.23486328125 5.72 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7104 120.842704772949 2651.08349609375 3.69 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7105 128.031997680664 10692.1181640625 14.89 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7106 132.053787231445 2915.28295898438 4.06 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7107 132.306900024414 2790.7412109375 3.89 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7108 150.013809204102 3940.181640625 5.49 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7109 159.014419555664 13139.130859375 18.3 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7110 164.029174804688 12922.8828125 18 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7111 168.126541137695 2528.20141601562 3.52 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7112 177.024536132812 51960.16796875 72.36 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7113 178.974594116211 3382.53393554688 4.71 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7114 191.040161132812 40791.80078125 56.81 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7115 191.076614379883 12475.3291015625 17.37 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7116 203.040481567383 12859.3427734375 17.91 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7117 207.014724731445 71808.90625 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7118 207.033813476562 5442.322265625 7.58 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7119 207.051803588867 15503.8115234375 21.59 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7120 218.967727661133 12146.615234375 16.92 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7121 221.051132202148 15837.3603515625 22.05 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7122 265.072113037109 5118.56787109375 7.13 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7123 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7124 RECORD_TITLE: MZ:265.0696 | RT:46.2 | grpid:282 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7125 MS$FOCUSED_ION: PRECURSOR_M/Z 265.069580078125 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7126 AC$CHROMATOGRAPHY: RETENTION_TIME 46.161033 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7127 XCMS groupid (grpid): 282 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7128 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7129 PK$NUM_PEAK: 23 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7130 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7131 100.917625427246 6046.6025390625 8.42 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7132 114.893188476562 23901.982421875 33.29 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7133 120.00350189209 50695.48046875 70.6 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7134 120.011451721191 4107.23486328125 5.72 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7135 120.842704772949 2651.08349609375 3.69 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7136 128.031997680664 10692.1181640625 14.89 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7137 132.053787231445 2915.28295898438 4.06 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7138 132.306900024414 2790.7412109375 3.89 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7139 150.013809204102 3940.181640625 5.49 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7140 159.014419555664 13139.130859375 18.3 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7141 164.029174804688 12922.8828125 18 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7142 168.126541137695 2528.20141601562 3.52 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7143 177.024536132812 51960.16796875 72.36 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7144 178.974594116211 3382.53393554688 4.71 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7145 191.040161132812 40791.80078125 56.81 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7146 191.076614379883 12475.3291015625 17.37 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7147 203.040481567383 12859.3427734375 17.91 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7148 207.014724731445 71808.90625 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7149 207.033813476562 5442.322265625 7.58 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7150 207.051803588867 15503.8115234375 21.59 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7151 218.967727661133 12146.615234375 16.92 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7152 221.051132202148 15837.3603515625 22.05 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7153 265.072113037109 5118.56787109375 7.13 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7154 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7155 RECORD_TITLE: MZ:265.0697 | RT:46.3 | grpid:282 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7156 MS$FOCUSED_ION: PRECURSOR_M/Z 265.069671630859 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7157 AC$CHROMATOGRAPHY: RETENTION_TIME 46.2952926 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7158 XCMS groupid (grpid): 282 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7159 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7160 PK$NUM_PEAK: 20 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7161 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7162 100.917533874512 5757.15771484375 7.77 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7163 114.893119812012 28334.666015625 38.23 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7164 116.069046020508 2184.07983398438 2.95 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7165 120.003402709961 52203.078125 70.44 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7166 128.031951904297 2988.5576171875 4.03 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7167 143.819931030273 2752.82299804688 3.71 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7168 159.01416015625 9665.548828125 13.04 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7169 164.029495239258 17030.798828125 22.98 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7170 177.024795532227 50298.484375 67.87 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7171 178.974868774414 5489.63671875 7.41 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7172 191.040267944336 45181.4609375 60.96 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7173 191.076950073242 13012.71484375 17.56 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7174 203.040756225586 11923.9248046875 16.09 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7175 205.05598449707 3205.2880859375 4.32 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7176 207.014450073242 74113.671875 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7177 207.034149169922 6027.6435546875 8.13 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7178 207.051879882812 13559.623046875 18.3 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7179 218.968139648438 6251.12109375 8.43 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7180 221.050872802734 15376.314453125 20.75 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7181 265.073425292969 5123.87353515625 6.91 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7182 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7183 RECORD_TITLE: MZ:265.0697 | RT:46.3 | grpid:282 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7184 MS$FOCUSED_ION: PRECURSOR_M/Z 265.069671630859 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7185 AC$CHROMATOGRAPHY: RETENTION_TIME 46.2952926 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7186 XCMS groupid (grpid): 282 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7187 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7188 PK$NUM_PEAK: 20 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7189 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7190 100.917533874512 5757.15771484375 7.77 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7191 114.893119812012 28334.666015625 38.23 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7192 116.069046020508 2184.07983398438 2.95 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7193 120.003402709961 52203.078125 70.44 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7194 128.031951904297 2988.5576171875 4.03 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7195 143.819931030273 2752.82299804688 3.71 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7196 159.01416015625 9665.548828125 13.04 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7197 164.029495239258 17030.798828125 22.98 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7198 177.024795532227 50298.484375 67.87 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7199 178.974868774414 5489.63671875 7.41 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7200 191.040267944336 45181.4609375 60.96 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7201 191.076950073242 13012.71484375 17.56 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7202 203.040756225586 11923.9248046875 16.09 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7203 205.05598449707 3205.2880859375 4.32 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7204 207.014450073242 74113.671875 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7205 207.034149169922 6027.6435546875 8.13 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7206 207.051879882812 13559.623046875 18.3 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7207 218.968139648438 6251.12109375 8.43 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7208 221.050872802734 15376.314453125 20.75 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7209 265.073425292969 5123.87353515625 6.91 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7210 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7211 RECORD_TITLE: MZ:268.9983 | RT:42.4 | grpid:298 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7212 MS$FOCUSED_ION: PRECURSOR_M/Z 268.998260498047 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7213 AC$CHROMATOGRAPHY: RETENTION_TIME 42.4292958 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7214 XCMS groupid (grpid): 298 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7215 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7216 PK$NUM_PEAK: 16 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7217 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7218 104.992698669434 3048620 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7219 112.89591217041 40926.08984375 1.34 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7220 123.003486633301 4431.7578125 0.15 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7221 130.049285888672 3339.44555664062 0.11 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7222 135.772277832031 3055.81420898438 0.1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7223 146.018997192383 27313.734375 0.9 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7224 170.042434692383 11567.099609375 0.38 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7225 176.162475585938 3204.0498046875 0.11 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7226 176.406677246094 3311.90942382812 0.11 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7227 176.992874145508 4265.4697265625 0.14 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7228 186.912292480469 32750.466796875 1.07 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7229 186.995330810547 97608.78125 3.2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7230 192.990859985352 3744.81689453125 0.12 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7231 204.922805786133 30499.603515625 1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7232 269.039306640625 5043.013671875 0.17 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7233 269.111785888672 15881.720703125 0.52 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7234 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7235 RECORD_TITLE: MZ:268.9983 | RT:42.4 | grpid:298 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7236 MS$FOCUSED_ION: PRECURSOR_M/Z 268.998260498047 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7237 AC$CHROMATOGRAPHY: RETENTION_TIME 42.4292958 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7238 XCMS groupid (grpid): 298 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7239 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7240 PK$NUM_PEAK: 16 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7241 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7242 104.992698669434 3048620 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7243 112.89591217041 40926.08984375 1.34 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7244 123.003486633301 4431.7578125 0.15 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7245 130.049285888672 3339.44555664062 0.11 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7246 135.772277832031 3055.81420898438 0.1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7247 146.018997192383 27313.734375 0.9 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7248 170.042434692383 11567.099609375 0.38 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7249 176.162475585938 3204.0498046875 0.11 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7250 176.406677246094 3311.90942382812 0.11 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7251 176.992874145508 4265.4697265625 0.14 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7252 186.912292480469 32750.466796875 1.07 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7253 186.995330810547 97608.78125 3.2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7254 192.990859985352 3744.81689453125 0.12 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7255 204.922805786133 30499.603515625 1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7256 269.039306640625 5043.013671875 0.17 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7257 269.111785888672 15881.720703125 0.52 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7258 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7259 RECORD_TITLE: MZ:268.9983 | RT:42.6 | grpid:298 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7260 MS$FOCUSED_ION: PRECURSOR_M/Z 268.998291015625 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7261 AC$CHROMATOGRAPHY: RETENTION_TIME 42.5736636 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7262 XCMS groupid (grpid): 298 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7263 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7264 PK$NUM_PEAK: 19 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7265 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7266 104.992706298828 1722148.25 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7267 112.896064758301 66524.015625 3.86 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7268 113.738670349121 3244.43115234375 0.19 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7269 115.773323059082 2838.77758789062 0.16 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7270 123.003311157227 3811.267578125 0.22 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7271 146.019180297852 14343.2041015625 0.83 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7272 148.2451171875 3183.01879882812 0.18 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7273 154.949859619141 3207.18774414062 0.19 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7274 170.042373657227 14541.6875 0.84 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7275 176.992538452148 6518.30615234375 0.38 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7276 186.91178894043 35832.26953125 2.08 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7277 186.995223999023 44461.41796875 2.58 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7278 192.99055480957 13631.8642578125 0.79 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7279 204.922607421875 16718.0625 0.97 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7280 252.058502197266 5009.93701171875 0.29 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7281 269.085510253906 8565.349609375 0.5 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7282 269.111450195312 15712.990234375 0.91 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7283 273.454193115234 2715.39135742188 0.16 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7284 276.519256591797 3091.81103515625 0.18 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7285 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7286 RECORD_TITLE: MZ:268.9983 | RT:42.6 | grpid:298 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7287 MS$FOCUSED_ION: PRECURSOR_M/Z 268.998291015625 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7288 AC$CHROMATOGRAPHY: RETENTION_TIME 42.5736636 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7289 XCMS groupid (grpid): 298 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7290 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7291 PK$NUM_PEAK: 19 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7292 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7293 104.992706298828 1722148.25 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7294 112.896064758301 66524.015625 3.86 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7295 113.738670349121 3244.43115234375 0.19 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7296 115.773323059082 2838.77758789062 0.16 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7297 123.003311157227 3811.267578125 0.22 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7298 146.019180297852 14343.2041015625 0.83 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7299 148.2451171875 3183.01879882812 0.18 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7300 154.949859619141 3207.18774414062 0.19 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7301 170.042373657227 14541.6875 0.84 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7302 176.992538452148 6518.30615234375 0.38 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7303 186.91178894043 35832.26953125 2.08 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7304 186.995223999023 44461.41796875 2.58 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7305 192.99055480957 13631.8642578125 0.79 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7306 204.922607421875 16718.0625 0.97 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7307 252.058502197266 5009.93701171875 0.29 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7308 269.085510253906 8565.349609375 0.5 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7309 269.111450195312 15712.990234375 0.91 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7310 273.454193115234 2715.39135742188 0.16 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7311 276.519256591797 3091.81103515625 0.18 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7312 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7313 RECORD_TITLE: MZ:271.0771 | RT:43.2 | grpid:301 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7314 MS$FOCUSED_ION: PRECURSOR_M/Z 271.077117919922 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7315 AC$CHROMATOGRAPHY: RETENTION_TIME 43.1829192 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7316 XCMS groupid (grpid): 301 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7317 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7318 PK$NUM_PEAK: 12 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7319 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7320 100.798370361328 2806.00366210938 6.63 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7321 110.071617126465 42341.19921875 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7322 111.075332641602 3045.94897460938 7.19 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7323 156.077011108398 14964.3564453125 35.34 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7324 158.032180786133 3290.30541992188 7.77 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7325 163.617385864258 2439.03857421875 5.76 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7326 169.657821655273 2572.78466796875 6.08 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7327 198.061676025391 6039.43798828125 14.26 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7328 219.839691162109 3130.17553710938 7.39 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7329 253.066848754883 4060.8232421875 9.59 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7330 253.091262817383 3481.53759765625 8.22 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7331 271.077209472656 13609.072265625 32.14 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7332 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7333 RECORD_TITLE: MZ:271.0771 | RT:43.2 | grpid:301 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7334 MS$FOCUSED_ION: PRECURSOR_M/Z 271.077117919922 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7335 AC$CHROMATOGRAPHY: RETENTION_TIME 43.1829192 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7336 XCMS groupid (grpid): 301 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7337 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7338 PK$NUM_PEAK: 12 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7339 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7340 100.798370361328 2806.00366210938 6.63 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7341 110.071617126465 42341.19921875 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7342 111.075332641602 3045.94897460938 7.19 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7343 156.077011108398 14964.3564453125 35.34 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7344 158.032180786133 3290.30541992188 7.77 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7345 163.617385864258 2439.03857421875 5.76 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7346 169.657821655273 2572.78466796875 6.08 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7347 198.061676025391 6039.43798828125 14.26 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7348 219.839691162109 3130.17553710938 7.39 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7349 253.066848754883 4060.8232421875 9.59 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7350 253.091262817383 3481.53759765625 8.22 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7351 271.077209472656 13609.072265625 32.14 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7352 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7353 RECORD_TITLE: MZ:271.0772 | RT:43.3 | grpid:301 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7354 MS$FOCUSED_ION: PRECURSOR_M/Z 271.077239990234 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7355 AC$CHROMATOGRAPHY: RETENTION_TIME 43.3414116 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7356 XCMS groupid (grpid): 301 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7357 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7358 PK$NUM_PEAK: 14 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7359 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7360 110.071556091309 39801.6875 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7361 111.075408935547 2643.5830078125 6.64 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7362 117.264106750488 3449.95263671875 8.67 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7363 135.01220703125 2765.78369140625 6.95 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7364 136.086898803711 2483.94384765625 6.24 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7365 156.076965332031 16494.17578125 41.44 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7366 173.054168701172 2505.51416015625 6.29 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7367 198.06184387207 4598.93310546875 11.55 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7368 225.099304199219 2903.80541992188 7.3 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7369 227.087280273438 3164.86669921875 7.95 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7370 253.068557739258 3641.54418945312 9.15 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7371 253.093139648438 4878.31689453125 12.26 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7372 254.050476074219 4631.060546875 11.64 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7373 271.078033447266 15260.291015625 38.34 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7374 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7375 RECORD_TITLE: MZ:271.0772 | RT:43.3 | grpid:301 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7376 MS$FOCUSED_ION: PRECURSOR_M/Z 271.077239990234 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7377 AC$CHROMATOGRAPHY: RETENTION_TIME 43.3414116 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7378 XCMS groupid (grpid): 301 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7379 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7380 PK$NUM_PEAK: 14 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7381 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7382 110.071556091309 39801.6875 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7383 111.075408935547 2643.5830078125 6.64 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7384 117.264106750488 3449.95263671875 8.67 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7385 135.01220703125 2765.78369140625 6.95 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7386 136.086898803711 2483.94384765625 6.24 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7387 156.076965332031 16494.17578125 41.44 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7388 173.054168701172 2505.51416015625 6.29 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7389 198.06184387207 4598.93310546875 11.55 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7390 225.099304199219 2903.80541992188 7.3 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7391 227.087280273438 3164.86669921875 7.95 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7392 253.068557739258 3641.54418945312 9.15 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7393 253.093139648438 4878.31689453125 12.26 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7394 254.050476074219 4631.060546875 11.64 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7395 271.078033447266 15260.291015625 38.34 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7396 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7397 RECORD_TITLE: MZ:272.1712 | RT:59.1 | grpid:303 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7398 MS$FOCUSED_ION: PRECURSOR_M/Z 272.171234130859 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7399 AC$CHROMATOGRAPHY: RETENTION_TIME 59.113914 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7400 XCMS groupid (grpid): 303 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7401 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7402 PK$NUM_PEAK: 32 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7403 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7404 100.07633972168 3624.96484375 0.64 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7405 110.071624755859 6275.3115234375 1.11 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7406 112.087265014648 175758.65625 30.99 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7407 115.086738586426 20811.6875 3.67 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7408 116.070915222168 304087.375 53.62 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7409 125.071640014648 3976.06372070312 0.7 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7410 128.070922851562 5499.0419921875 0.97 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7411 130.097778320312 13411.0283203125 2.36 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7412 138.055297851562 6954.76220703125 1.23 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7413 140.081893920898 35304.9453125 6.22 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7414 151.123229980469 12178.4716796875 2.15 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7415 157.108322143555 67676.390625 11.93 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7416 158.092529296875 76122.3046875 13.42 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7417 168.990570068359 5556.48046875 0.98 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7418 172.952041625977 5756.025390625 1.01 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7419 172.985656738281 6526.55126953125 1.15 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7420 175.118927001953 318458 56.15 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7421 181.985992431641 17521.47265625 3.09 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7422 192.113143920898 12812.8310546875 2.26 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7423 194.129241943359 4256.27783203125 0.75 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7424 195.113082885742 63606.453125 11.21 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7425 196.081298828125 3017.048828125 0.53 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7426 196.096252441406 22935.0234375 4.04 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7427 199.995834350586 3417.10375976562 0.6 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7428 212.139129638672 3249.7724609375 0.57 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7429 213.123245239258 167619.078125 29.55 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7430 213.143768310547 5725.1005859375 1.01 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7431 237.134216308594 3826.31689453125 0.67 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7432 238.11897277832 25840.982421875 4.56 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7433 254.161376953125 56754.59765625 10.01 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7434 255.14501953125 149334.96875 26.33 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7435 272.171447753906 567159.9375 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7436 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7437 RECORD_TITLE: MZ:272.1712 | RT:59.1 | grpid:303 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7438 MS$FOCUSED_ION: PRECURSOR_M/Z 272.171234130859 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7439 AC$CHROMATOGRAPHY: RETENTION_TIME 59.113914 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7440 XCMS groupid (grpid): 303 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7441 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7442 PK$NUM_PEAK: 32 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7443 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7444 100.07633972168 3624.96484375 0.64 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7445 110.071624755859 6275.3115234375 1.11 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7446 112.087265014648 175758.65625 30.99 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7447 115.086738586426 20811.6875 3.67 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7448 116.070915222168 304087.375 53.62 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7449 125.071640014648 3976.06372070312 0.7 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7450 128.070922851562 5499.0419921875 0.97 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7451 130.097778320312 13411.0283203125 2.36 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7452 138.055297851562 6954.76220703125 1.23 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7453 140.081893920898 35304.9453125 6.22 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7454 151.123229980469 12178.4716796875 2.15 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7455 157.108322143555 67676.390625 11.93 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7456 158.092529296875 76122.3046875 13.42 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7457 168.990570068359 5556.48046875 0.98 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7458 172.952041625977 5756.025390625 1.01 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7459 172.985656738281 6526.55126953125 1.15 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7460 175.118927001953 318458 56.15 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7461 181.985992431641 17521.47265625 3.09 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7462 192.113143920898 12812.8310546875 2.26 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7463 194.129241943359 4256.27783203125 0.75 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7464 195.113082885742 63606.453125 11.21 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7465 196.081298828125 3017.048828125 0.53 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7466 196.096252441406 22935.0234375 4.04 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7467 199.995834350586 3417.10375976562 0.6 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7468 212.139129638672 3249.7724609375 0.57 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7469 213.123245239258 167619.078125 29.55 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7470 213.143768310547 5725.1005859375 1.01 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7471 237.134216308594 3826.31689453125 0.67 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7472 238.11897277832 25840.982421875 4.56 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7473 254.161376953125 56754.59765625 10.01 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7474 255.14501953125 149334.96875 26.33 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7475 272.171447753906 567159.9375 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7476 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7477 RECORD_TITLE: MZ:272.1712 | RT:59.1 | grpid:303 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7478 MS$FOCUSED_ION: PRECURSOR_M/Z 272.171203613281 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7479 AC$CHROMATOGRAPHY: RETENTION_TIME 59.113914 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7480 XCMS groupid (grpid): 303 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7481 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7482 PK$NUM_PEAK: 34 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7483 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7484 100.076034545898 19949.189453125 2.17 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7485 112.087242126465 329485.15625 35.8 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7486 113.071655273438 4598.30322265625 0.5 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7487 114.05598449707 3411.90991210938 0.37 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7488 114.103385925293 3633.01293945312 0.39 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7489 115.086898803711 33303.1328125 3.62 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7490 116.070877075195 507324.21875 55.12 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7491 127.050193786621 6445.1923828125 0.7 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7492 128.070724487305 7702.47216796875 0.84 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7493 130.097549438477 21197.5234375 2.3 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7494 140.08171081543 49894.98046875 5.42 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7495 141.258346557617 3243.73388671875 0.35 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7496 144.065307617188 4190.72900390625 0.46 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7497 151.123031616211 17538.5546875 1.91 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7498 154.034561157227 3980.0673828125 0.43 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7499 157.108322143555 116164.6953125 12.62 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7500 158.092330932617 116809.53125 12.69 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7501 167.118408203125 5790.71630859375 0.63 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7502 173.092254638672 4668.1748046875 0.51 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7503 175.118896484375 520665.75 56.57 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7504 181.985855102539 15454.2802734375 1.68 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7505 192.113082885742 19024.90625 2.07 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7506 194.128997802734 29506.46875 3.21 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7507 195.11296081543 112700.2421875 12.24 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7508 196.09651184082 45396.34765625 4.93 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7509 209.139068603516 5848.64697265625 0.64 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7510 212.139724731445 4401.76123046875 0.48 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7511 213.123275756836 305202.9375 33.16 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7512 226.11799621582 8838.80078125 0.96 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7513 237.13410949707 6041.72412109375 0.66 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7514 238.117752075195 52792.4453125 5.74 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7515 254.160827636719 98623.3671875 10.71 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7516 255.14485168457 256106.625 27.82 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7517 272.171356201172 920466.25 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7518 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7519 RECORD_TITLE: MZ:272.1712 | RT:59.1 | grpid:303 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7520 MS$FOCUSED_ION: PRECURSOR_M/Z 272.171203613281 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7521 AC$CHROMATOGRAPHY: RETENTION_TIME 59.113914 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7522 XCMS groupid (grpid): 303 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7523 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7524 PK$NUM_PEAK: 34 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7525 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7526 100.076034545898 19949.189453125 2.17 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7527 112.087242126465 329485.15625 35.8 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7528 113.071655273438 4598.30322265625 0.5 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7529 114.05598449707 3411.90991210938 0.37 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7530 114.103385925293 3633.01293945312 0.39 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7531 115.086898803711 33303.1328125 3.62 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7532 116.070877075195 507324.21875 55.12 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7533 127.050193786621 6445.1923828125 0.7 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7534 128.070724487305 7702.47216796875 0.84 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7535 130.097549438477 21197.5234375 2.3 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7536 140.08171081543 49894.98046875 5.42 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7537 141.258346557617 3243.73388671875 0.35 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7538 144.065307617188 4190.72900390625 0.46 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7539 151.123031616211 17538.5546875 1.91 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7540 154.034561157227 3980.0673828125 0.43 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7541 157.108322143555 116164.6953125 12.62 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7542 158.092330932617 116809.53125 12.69 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7543 167.118408203125 5790.71630859375 0.63 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7544 173.092254638672 4668.1748046875 0.51 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7545 175.118896484375 520665.75 56.57 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7546 181.985855102539 15454.2802734375 1.68 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7547 192.113082885742 19024.90625 2.07 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7548 194.128997802734 29506.46875 3.21 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7549 195.11296081543 112700.2421875 12.24 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7550 196.09651184082 45396.34765625 4.93 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7551 209.139068603516 5848.64697265625 0.64 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7552 212.139724731445 4401.76123046875 0.48 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7553 213.123275756836 305202.9375 33.16 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7554 226.11799621582 8838.80078125 0.96 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7555 237.13410949707 6041.72412109375 0.66 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7556 238.117752075195 52792.4453125 5.74 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7557 254.160827636719 98623.3671875 10.71 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7558 255.14485168457 256106.625 27.82 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7559 272.171356201172 920466.25 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7560 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7561 RECORD_TITLE: MZ:272.1713 | RT:58.5 | grpid:303 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7562 MS$FOCUSED_ION: PRECURSOR_M/Z 272.171264648438 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7563 AC$CHROMATOGRAPHY: RETENTION_TIME 58.478901 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7564 XCMS groupid (grpid): 303 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7565 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7566 PK$NUM_PEAK: 34 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7567 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7568 100.076301574707 12496.2763671875 2.84 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7569 110.071594238281 5312.72412109375 1.21 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7570 112.087257385254 152846.46875 34.69 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7571 115.086975097656 22548.0546875 5.12 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7572 116.070877075195 247863.4375 56.26 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7573 123.485488891602 3156.89135742188 0.72 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7574 130.09765625 12298.248046875 2.79 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7575 130.525375366211 2623.5224609375 0.6 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7576 134.102203369141 2664.96557617188 0.6 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7577 138.054794311523 6436.328125 1.46 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7578 140.081756591797 30080.09765625 6.83 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7579 151.123260498047 14185.83984375 3.22 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7580 157.108459472656 57874.73046875 13.14 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7581 158.092315673828 64098.03125 14.55 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7582 168.10139465332 3220.1953125 0.73 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7583 168.990631103516 13845.9501953125 3.14 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7584 172.985427856445 7066.3515625 1.6 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7585 175.118957519531 270028.03125 61.29 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7586 176.587432861328 2728.27294921875 0.62 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7587 181.986038208008 22713.583984375 5.16 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7588 192.113357543945 5927.8525390625 1.35 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7589 194.129089355469 5476.8466796875 1.24 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7590 195.112716674805 56682.96875 12.87 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7591 196.096603393555 16365.4228515625 3.71 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7592 199.996536254883 4580.322265625 1.04 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7593 213.123229980469 137082.34375 31.11 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7594 213.143600463867 4656.78369140625 1.06 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7595 223.013259887695 3245.58422851562 0.74 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7596 226.118911743164 5308.62109375 1.2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7597 232.815322875977 2904.64306640625 0.66 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7598 238.118347167969 22576.728515625 5.12 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7599 254.160858154297 54065.60546875 12.27 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7600 255.145080566406 131171.484375 29.77 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7601 272.171447753906 440583.8125 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7602 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7603 RECORD_TITLE: MZ:272.1713 | RT:58.5 | grpid:303 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7604 MS$FOCUSED_ION: PRECURSOR_M/Z 272.171264648438 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7605 AC$CHROMATOGRAPHY: RETENTION_TIME 58.478901 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7606 XCMS groupid (grpid): 303 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7607 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7608 PK$NUM_PEAK: 34 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7609 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7610 100.076301574707 12496.2763671875 2.84 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7611 110.071594238281 5312.72412109375 1.21 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7612 112.087257385254 152846.46875 34.69 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7613 115.086975097656 22548.0546875 5.12 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7614 116.070877075195 247863.4375 56.26 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7615 123.485488891602 3156.89135742188 0.72 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7616 130.09765625 12298.248046875 2.79 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7617 130.525375366211 2623.5224609375 0.6 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7618 134.102203369141 2664.96557617188 0.6 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7619 138.054794311523 6436.328125 1.46 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7620 140.081756591797 30080.09765625 6.83 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7621 151.123260498047 14185.83984375 3.22 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7622 157.108459472656 57874.73046875 13.14 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7623 158.092315673828 64098.03125 14.55 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7624 168.10139465332 3220.1953125 0.73 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7625 168.990631103516 13845.9501953125 3.14 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7626 172.985427856445 7066.3515625 1.6 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7627 175.118957519531 270028.03125 61.29 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7628 176.587432861328 2728.27294921875 0.62 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7629 181.986038208008 22713.583984375 5.16 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7630 192.113357543945 5927.8525390625 1.35 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7631 194.129089355469 5476.8466796875 1.24 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7632 195.112716674805 56682.96875 12.87 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7633 196.096603393555 16365.4228515625 3.71 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7634 199.996536254883 4580.322265625 1.04 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7635 213.123229980469 137082.34375 31.11 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7636 213.143600463867 4656.78369140625 1.06 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7637 223.013259887695 3245.58422851562 0.74 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7638 226.118911743164 5308.62109375 1.2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7639 232.815322875977 2904.64306640625 0.66 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7640 238.118347167969 22576.728515625 5.12 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7641 254.160858154297 54065.60546875 12.27 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7642 255.145080566406 131171.484375 29.77 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7643 272.171447753906 440583.8125 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7644 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7645 RECORD_TITLE: MZ:272.1712 | RT:58.5 | grpid:303 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7646 MS$FOCUSED_ION: PRECURSOR_M/Z 272.171234130859 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7647 AC$CHROMATOGRAPHY: RETENTION_TIME 58.478901 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7648 XCMS groupid (grpid): 303 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7649 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7650 PK$NUM_PEAK: 35 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7651 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7652 100.076278686523 18250.01171875 2.04 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7653 110.023941040039 4066.50732421875 0.45 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7654 112.087242126465 324019.03125 36.24 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7655 115.086524963379 41846.90234375 4.68 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7656 116.07088470459 462302.96875 51.71 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7657 125.071365356445 8344.171875 0.93 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7658 127.05054473877 6366.69580078125 0.71 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7659 128.070617675781 5714.35791015625 0.64 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7660 129.674026489258 3974.34008789062 0.44 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7661 130.050064086914 8027.97314453125 0.9 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7662 130.097732543945 17174.51953125 1.92 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7663 140.08171081543 40003.15625 4.47 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7664 151.122909545898 17529.361328125 1.96 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7665 157.108337402344 115884.90625 12.96 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7666 158.092483520508 122361.421875 13.69 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7667 167.118255615234 6129.56298828125 0.69 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7668 175.118927001953 493274.59375 55.17 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7669 181.986572265625 4157.38818359375 0.47 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7670 182.080230712891 3442.48120117188 0.39 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7671 185.103530883789 4269.2392578125 0.48 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7672 192.112457275391 8776.1298828125 0.98 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7673 194.128646850586 20466.5078125 2.29 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7674 195.113037109375 99558.7109375 11.14 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7675 196.096343994141 38243.72265625 4.28 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7676 209.092132568359 3605.17626953125 0.4 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7677 209.139144897461 4868.466796875 0.54 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7678 212.139236450195 6368.39599609375 0.71 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7679 213.123306274414 285096.875 31.89 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7680 226.118835449219 9073.8974609375 1.01 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7681 238.117828369141 50502.14453125 5.65 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7682 254.160919189453 95590.828125 10.69 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7683 255.11735534668 6694.04296875 0.75 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7684 255.122634887695 4730.10205078125 0.53 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7685 255.144790649414 253964.265625 28.41 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7686 272.171417236328 894020.5625 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7687 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7688 RECORD_TITLE: MZ:272.1712 | RT:58.5 | grpid:303 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7689 MS$FOCUSED_ION: PRECURSOR_M/Z 272.171234130859 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7690 AC$CHROMATOGRAPHY: RETENTION_TIME 58.478901 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7691 XCMS groupid (grpid): 303 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7692 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7693 PK$NUM_PEAK: 35 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7694 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7695 100.076278686523 18250.01171875 2.04 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7696 110.023941040039 4066.50732421875 0.45 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7697 112.087242126465 324019.03125 36.24 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7698 115.086524963379 41846.90234375 4.68 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7699 116.07088470459 462302.96875 51.71 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7700 125.071365356445 8344.171875 0.93 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7701 127.05054473877 6366.69580078125 0.71 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7702 128.070617675781 5714.35791015625 0.64 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7703 129.674026489258 3974.34008789062 0.44 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7704 130.050064086914 8027.97314453125 0.9 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7705 130.097732543945 17174.51953125 1.92 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7706 140.08171081543 40003.15625 4.47 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7707 151.122909545898 17529.361328125 1.96 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7708 157.108337402344 115884.90625 12.96 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7709 158.092483520508 122361.421875 13.69 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7710 167.118255615234 6129.56298828125 0.69 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7711 175.118927001953 493274.59375 55.17 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7712 181.986572265625 4157.38818359375 0.47 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7713 182.080230712891 3442.48120117188 0.39 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7714 185.103530883789 4269.2392578125 0.48 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7715 192.112457275391 8776.1298828125 0.98 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7716 194.128646850586 20466.5078125 2.29 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7717 195.113037109375 99558.7109375 11.14 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7718 196.096343994141 38243.72265625 4.28 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7719 209.092132568359 3605.17626953125 0.4 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7720 209.139144897461 4868.466796875 0.54 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7721 212.139236450195 6368.39599609375 0.71 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7722 213.123306274414 285096.875 31.89 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7723 226.118835449219 9073.8974609375 1.01 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7724 238.117828369141 50502.14453125 5.65 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7725 254.160919189453 95590.828125 10.69 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7726 255.11735534668 6694.04296875 0.75 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7727 255.122634887695 4730.10205078125 0.53 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7728 255.144790649414 253964.265625 28.41 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7729 272.171417236328 894020.5625 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7730 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7731 RECORD_TITLE: MZ:274.1756 | RT:93.5 | grpid:306 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7732 MS$FOCUSED_ION: PRECURSOR_M/Z 274.175598144531 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7733 AC$CHROMATOGRAPHY: RETENTION_TIME 93.504684 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7734 XCMS groupid (grpid): 306 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7735 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7736 PK$NUM_PEAK: 6 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7737 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7738 101.068878173828 3083.6005859375 1.26 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7739 115.086715698242 3843.61743164062 1.57 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7740 157.133575439453 244224.890625 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7741 161.092071533203 185869.75 76.11 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7742 161.105804443359 4702.1435546875 1.93 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7743 185.128646850586 95068.3203125 38.93 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7744 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7745 RECORD_TITLE: MZ:274.1756 | RT:93.5 | grpid:306 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7746 MS$FOCUSED_ION: PRECURSOR_M/Z 274.175598144531 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7747 AC$CHROMATOGRAPHY: RETENTION_TIME 93.504684 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7748 XCMS groupid (grpid): 306 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7749 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7750 PK$NUM_PEAK: 6 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7751 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7752 101.068878173828 3083.6005859375 1.26 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7753 115.086715698242 3843.61743164062 1.57 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7754 157.133575439453 244224.890625 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7755 161.092071533203 185869.75 76.11 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7756 161.105804443359 4702.1435546875 1.93 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7757 185.128646850586 95068.3203125 38.93 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7758 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7759 RECORD_TITLE: MZ:274.1758 | RT:93.5 | grpid:306 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7760 MS$FOCUSED_ION: PRECURSOR_M/Z 274.175750732422 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7761 AC$CHROMATOGRAPHY: RETENTION_TIME 93.504684 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7762 XCMS groupid (grpid): 306 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7763 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7764 PK$NUM_PEAK: 13 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7765 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7766 111.12141418457 2919.10546875 3.48 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7767 118.139419555664 2762.68212890625 3.29 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7768 152.241439819336 2889.55200195312 3.44 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7769 157.133407592773 43877.9140625 52.24 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7770 161.092407226562 20549.56640625 24.46 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7771 171.149154663086 83996.7734375 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7772 171.16291809082 5722.12744140625 6.81 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7773 175.107849121094 28270.609375 33.66 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7774 185.128463745117 11578.7451171875 13.78 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7775 199.144088745117 10817.66796875 12.88 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7776 203.91975402832 2890.12939453125 3.44 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7777 213.804061889648 2904.75952148438 3.46 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7778 293.943817138672 3003.84594726562 3.58 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7779 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7780 RECORD_TITLE: MZ:274.1758 | RT:93.5 | grpid:306 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7781 MS$FOCUSED_ION: PRECURSOR_M/Z 274.175750732422 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7782 AC$CHROMATOGRAPHY: RETENTION_TIME 93.504684 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7783 XCMS groupid (grpid): 306 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7784 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7785 PK$NUM_PEAK: 13 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7786 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7787 111.12141418457 2919.10546875 3.48 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7788 118.139419555664 2762.68212890625 3.29 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7789 152.241439819336 2889.55200195312 3.44 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7790 157.133407592773 43877.9140625 52.24 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7791 161.092407226562 20549.56640625 24.46 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7792 171.149154663086 83996.7734375 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7793 171.16291809082 5722.12744140625 6.81 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7794 175.107849121094 28270.609375 33.66 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7795 185.128463745117 11578.7451171875 13.78 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7796 199.144088745117 10817.66796875 12.88 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7797 203.91975402832 2890.12939453125 3.44 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7798 213.804061889648 2904.75952148438 3.46 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7799 293.943817138672 3003.84594726562 3.58 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7800 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7801 RECORD_TITLE: MZ:274.1757 | RT:93.7 | grpid:306 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7802 MS$FOCUSED_ION: PRECURSOR_M/Z 274.175689697266 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7803 AC$CHROMATOGRAPHY: RETENTION_TIME 93.704046 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7804 XCMS groupid (grpid): 306 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7805 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7806 PK$NUM_PEAK: 9 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7807 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7808 115.086883544922 4926.205078125 1.98 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7809 134.339370727539 3014.974609375 1.21 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7810 157.133544921875 248792.71875 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7811 161.092025756836 181333.03125 72.89 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7812 171.149322509766 4819.44921875 1.94 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7813 185.128479003906 103656.1328125 41.66 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7814 185.144317626953 3739.43701171875 1.5 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7815 240.998413085938 3096.86401367188 1.24 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7816 244.528472900391 3161.3740234375 1.27 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7817 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7818 RECORD_TITLE: MZ:274.1757 | RT:93.7 | grpid:306 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7819 MS$FOCUSED_ION: PRECURSOR_M/Z 274.175689697266 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7820 AC$CHROMATOGRAPHY: RETENTION_TIME 93.704046 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7821 XCMS groupid (grpid): 306 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7822 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7823 PK$NUM_PEAK: 9 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7824 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7825 115.086883544922 4926.205078125 1.98 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7826 134.339370727539 3014.974609375 1.21 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7827 157.133544921875 248792.71875 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7828 161.092025756836 181333.03125 72.89 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7829 171.149322509766 4819.44921875 1.94 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7830 185.128479003906 103656.1328125 41.66 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7831 185.144317626953 3739.43701171875 1.5 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7832 240.998413085938 3096.86401367188 1.24 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7833 244.528472900391 3161.3740234375 1.27 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7834 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7835 RECORD_TITLE: MZ:274.1758 | RT:93.7 | grpid:306 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7836 MS$FOCUSED_ION: PRECURSOR_M/Z 274.175811767578 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7837 AC$CHROMATOGRAPHY: RETENTION_TIME 93.704046 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7838 XCMS groupid (grpid): 306 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7839 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7840 PK$NUM_PEAK: 8 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7841 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7842 107.794586181641 2516.4248046875 3.03 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7843 157.133987426758 35312.12890625 42.52 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7844 161.092620849609 22569.705078125 27.18 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7845 171.149185180664 83047.671875 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7846 171.217880249023 2739.57739257812 3.3 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7847 175.107727050781 28410.375 34.21 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7848 185.129318237305 11420.4775390625 13.75 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7849 199.144180297852 6829.45703125 8.22 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7850 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7851 RECORD_TITLE: MZ:274.1758 | RT:93.7 | grpid:306 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7852 MS$FOCUSED_ION: PRECURSOR_M/Z 274.175811767578 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7853 AC$CHROMATOGRAPHY: RETENTION_TIME 93.704046 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7854 XCMS groupid (grpid): 306 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7855 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7856 PK$NUM_PEAK: 8 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7857 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7858 107.794586181641 2516.4248046875 3.03 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7859 157.133987426758 35312.12890625 42.52 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7860 161.092620849609 22569.705078125 27.18 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7861 171.149185180664 83047.671875 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7862 171.217880249023 2739.57739257812 3.3 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7863 175.107727050781 28410.375 34.21 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7864 185.129318237305 11420.4775390625 13.75 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7865 199.144180297852 6829.45703125 8.22 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7866 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7867 RECORD_TITLE: MZ:277.1027 | RT:34 | grpid:311 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7868 MS$FOCUSED_ION: PRECURSOR_M/Z 277.102722167969 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7869 AC$CHROMATOGRAPHY: RETENTION_TIME 34.0415226 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7870 XCMS groupid (grpid): 311 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7871 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7872 PK$NUM_PEAK: 11 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7873 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7874 102.055252075195 19285.34375 57.12 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7875 103.058700561523 11779.50390625 34.89 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7876 121.485000610352 2537.43798828125 7.52 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7877 130.049957275391 33762.67578125 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7878 131.053573608398 31767.23828125 94.09 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7879 135.140594482422 2774.06518554688 8.22 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7880 142.942428588867 2860.3330078125 8.47 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7881 148.060012817383 26213.484375 77.64 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7882 149.06379699707 17484.365234375 51.79 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7883 242.084671020508 14739.18359375 43.66 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7884 260.095520019531 9966.8857421875 29.52 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7885 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7886 RECORD_TITLE: MZ:277.1027 | RT:34 | grpid:311 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7887 MS$FOCUSED_ION: PRECURSOR_M/Z 277.102722167969 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7888 AC$CHROMATOGRAPHY: RETENTION_TIME 34.0415226 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7889 XCMS groupid (grpid): 311 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7890 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7891 PK$NUM_PEAK: 11 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7892 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7893 102.055252075195 19285.34375 57.12 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7894 103.058700561523 11779.50390625 34.89 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7895 121.485000610352 2537.43798828125 7.52 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7896 130.049957275391 33762.67578125 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7897 131.053573608398 31767.23828125 94.09 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7898 135.140594482422 2774.06518554688 8.22 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7899 142.942428588867 2860.3330078125 8.47 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7900 148.060012817383 26213.484375 77.64 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7901 149.06379699707 17484.365234375 51.79 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7902 242.084671020508 14739.18359375 43.66 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7903 260.095520019531 9966.8857421875 29.52 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7904 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7905 RECORD_TITLE: MZ:277.1027 | RT:35 | grpid:311 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7906 MS$FOCUSED_ION: PRECURSOR_M/Z 277.102691650391 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7907 AC$CHROMATOGRAPHY: RETENTION_TIME 34.9703976 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7908 XCMS groupid (grpid): 311 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7909 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7910 PK$NUM_PEAK: 14 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7911 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7912 101.117088317871 2863.08325195312 3.5 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7913 102.055404663086 50160.4453125 61.35 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7914 130.049987792969 81759.015625 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7915 137.712448120117 2819.294921875 3.45 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7916 145.24836730957 2623.4052734375 3.21 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7917 148.060333251953 60141.9609375 73.56 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7918 168.065719604492 10804.6103515625 13.22 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7919 187.943496704102 2877.6943359375 3.52 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7920 195.076248168945 5258.607421875 6.43 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7921 214.070541381836 3659.35961914062 4.48 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7922 241.082122802734 18428.041015625 22.54 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7923 259.091766357422 11490.0615234375 14.05 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7924 260.077758789062 3573.9892578125 4.37 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7925 296.483093261719 2672.47143554688 3.27 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7926 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7927 RECORD_TITLE: MZ:277.1027 | RT:35 | grpid:311 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7928 MS$FOCUSED_ION: PRECURSOR_M/Z 277.102691650391 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7929 AC$CHROMATOGRAPHY: RETENTION_TIME 34.9703976 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7930 XCMS groupid (grpid): 311 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7931 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7932 PK$NUM_PEAK: 14 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7933 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7934 101.117088317871 2863.08325195312 3.5 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7935 102.055404663086 50160.4453125 61.35 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7936 130.049987792969 81759.015625 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7937 137.712448120117 2819.294921875 3.45 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7938 145.24836730957 2623.4052734375 3.21 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7939 148.060333251953 60141.9609375 73.56 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7940 168.065719604492 10804.6103515625 13.22 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7941 187.943496704102 2877.6943359375 3.52 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7942 195.076248168945 5258.607421875 6.43 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7943 214.070541381836 3659.35961914062 4.48 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7944 241.082122802734 18428.041015625 22.54 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7945 259.091766357422 11490.0615234375 14.05 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7946 260.077758789062 3573.9892578125 4.37 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7947 296.483093261719 2672.47143554688 3.27 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7948 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7949 RECORD_TITLE: MZ:277.1027 | RT:35 | grpid:311 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7950 MS$FOCUSED_ION: PRECURSOR_M/Z 277.102661132812 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7951 AC$CHROMATOGRAPHY: RETENTION_TIME 34.9703976 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7952 XCMS groupid (grpid): 311 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7953 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7954 PK$NUM_PEAK: 23 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7955 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7956 102.055404663086 72120.984375 65.76 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7957 103.05867767334 48864.07421875 44.55 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7958 111.366973876953 2833.31323242188 2.58 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7959 130.050003051758 109676.109375 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7960 131.05354309082 100056.453125 91.23 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7961 148.060394287109 86676.734375 79.03 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7962 149.064056396484 78624.0078125 71.69 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7963 168.065765380859 5124.88134765625 4.67 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7964 168.085021972656 3935.74194335938 3.59 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7965 169.069152832031 19103.474609375 17.42 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7966 171.077941894531 3176.71948242188 2.9 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7967 196.0625 2881.5732421875 2.63 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7968 196.079696655273 10778.5263671875 9.83 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7969 197.063247680664 10964.5751953125 10 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7970 200.51123046875 2897.78002929688 2.64 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7971 214.089920043945 3769.673828125 3.44 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7972 215.074676513672 16016.048828125 14.6 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7973 216.662963867188 3348.08642578125 3.05 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7974 242.08576965332 19153.349609375 17.46 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7975 243.068954467773 3263.1953125 2.98 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7976 260.096435546875 13470.7333984375 12.28 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7977 261.079376220703 10932.662109375 9.97 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7978 278.105987548828 5054.4541015625 4.61 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7979 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7980 RECORD_TITLE: MZ:277.1027 | RT:35 | grpid:311 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7981 MS$FOCUSED_ION: PRECURSOR_M/Z 277.102661132812 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7982 AC$CHROMATOGRAPHY: RETENTION_TIME 34.9703976 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7983 XCMS groupid (grpid): 311 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7984 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7985 PK$NUM_PEAK: 23 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7986 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7987 102.055404663086 72120.984375 65.76 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7988 103.05867767334 48864.07421875 44.55 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7989 111.366973876953 2833.31323242188 2.58 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7990 130.050003051758 109676.109375 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7991 131.05354309082 100056.453125 91.23 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7992 148.060394287109 86676.734375 79.03 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7993 149.064056396484 78624.0078125 71.69 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7994 168.065765380859 5124.88134765625 4.67 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7995 168.085021972656 3935.74194335938 3.59 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7996 169.069152832031 19103.474609375 17.42 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7997 171.077941894531 3176.71948242188 2.9 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7998 196.0625 2881.5732421875 2.63 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7999 196.079696655273 10778.5263671875 9.83 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8000 197.063247680664 10964.5751953125 10 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8001 200.51123046875 2897.78002929688 2.64 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8002 214.089920043945 3769.673828125 3.44 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8003 215.074676513672 16016.048828125 14.6 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8004 216.662963867188 3348.08642578125 3.05 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8005 242.08576965332 19153.349609375 17.46 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8006 243.068954467773 3263.1953125 2.98 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8007 260.096435546875 13470.7333984375 12.28 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8008 261.079376220703 10932.662109375 9.97 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8009 278.105987548828 5054.4541015625 4.61 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8010 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8011 RECORD_TITLE: MZ:279.1005 | RT:63.7 | grpid:313 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8012 MS$FOCUSED_ION: PRECURSOR_M/Z 279.100494384766 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8013 AC$CHROMATOGRAPHY: RETENTION_TIME 63.683916 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8014 XCMS groupid (grpid): 313 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8015 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8016 PK$NUM_PEAK: 27 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8017 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8018 102.055374145508 99060.15625 12.22 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8019 104.053268432617 810346.25 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8020 105.037216186523 4860.92724609375 0.6 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8021 105.119819641113 3536.46728515625 0.44 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8022 121.028755187988 4230.94873046875 0.52 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8023 122.060264587402 48331.40625 5.96 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8024 130.049957275391 166260.296875 20.52 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8025 130.059768676758 5725.16845703125 0.71 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8026 131.016021728516 21972.888671875 2.71 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8027 133.031845092773 643111.375 79.36 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8028 136.075653076172 6655.1328125 0.82 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8029 138.59294128418 3106.81518554688 0.38 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8030 140.033798217773 4807.77783203125 0.59 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8031 140.070190429688 5408.396484375 0.67 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8032 142.049545288086 3321.40600585938 0.41 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8033 147.306976318359 3170.48095703125 0.39 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8034 149.023406982422 131090.984375 16.18 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8035 150.058334350586 539588 66.59 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8036 153.8173828125 2858.638671875 0.35 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8037 167.081314086914 15029.8408203125 1.85 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8038 168.065551757812 121723.78125 15.02 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8039 170.062957763672 31012.787109375 3.83 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8040 185.091812133789 4823.31982421875 0.6 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8041 186.126800537109 3235.509765625 0.4 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8042 216.06852722168 75573.1875 9.33 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8043 262.074645996094 45437.76171875 5.61 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8044 279.099304199219 7316.77685546875 0.9 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8045 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8046 RECORD_TITLE: MZ:279.1005 | RT:63.7 | grpid:313 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8047 MS$FOCUSED_ION: PRECURSOR_M/Z 279.100494384766 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8048 AC$CHROMATOGRAPHY: RETENTION_TIME 63.683916 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8049 XCMS groupid (grpid): 313 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8050 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8051 PK$NUM_PEAK: 27 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8052 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8053 102.055374145508 99060.15625 12.22 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8054 104.053268432617 810346.25 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8055 105.037216186523 4860.92724609375 0.6 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8056 105.119819641113 3536.46728515625 0.44 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8057 121.028755187988 4230.94873046875 0.52 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8058 122.060264587402 48331.40625 5.96 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8059 130.049957275391 166260.296875 20.52 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8060 130.059768676758 5725.16845703125 0.71 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8061 131.016021728516 21972.888671875 2.71 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8062 133.031845092773 643111.375 79.36 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8063 136.075653076172 6655.1328125 0.82 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8064 138.59294128418 3106.81518554688 0.38 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8065 140.033798217773 4807.77783203125 0.59 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8066 140.070190429688 5408.396484375 0.67 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8067 142.049545288086 3321.40600585938 0.41 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8068 147.306976318359 3170.48095703125 0.39 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8069 149.023406982422 131090.984375 16.18 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8070 150.058334350586 539588 66.59 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8071 153.8173828125 2858.638671875 0.35 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8072 167.081314086914 15029.8408203125 1.85 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8073 168.065551757812 121723.78125 15.02 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8074 170.062957763672 31012.787109375 3.83 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8075 185.091812133789 4823.31982421875 0.6 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8076 186.126800537109 3235.509765625 0.4 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8077 216.06852722168 75573.1875 9.33 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8078 262.074645996094 45437.76171875 5.61 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8079 279.099304199219 7316.77685546875 0.9 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8080 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8081 RECORD_TITLE: MZ:280.0488 | RT:70.5 | grpid:315 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8082 MS$FOCUSED_ION: PRECURSOR_M/Z 280.048767089844 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8083 AC$CHROMATOGRAPHY: RETENTION_TIME 70.461672 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8084 XCMS groupid (grpid): 315 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8085 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8086 PK$NUM_PEAK: 39 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8087 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8088 116.985786437988 33421.9296875 31 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8089 120.081001281738 11129.6591796875 10.32 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8090 123.669364929199 2818.08227539062 2.61 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8091 124.297996520996 2718.25439453125 2.52 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8092 134.996856689453 30773.3515625 28.54 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8093 135.777297973633 2776.31372070312 2.58 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8094 140.002090454102 4177.95703125 3.88 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8095 149.023239135742 11645.5498046875 10.8 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8096 150.026840209961 13410.5322265625 12.44 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8097 153.0068359375 5393.45361328125 5 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8098 158.012222290039 11300.4365234375 10.48 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8099 165.993804931641 5124.900390625 4.75 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8100 169.017227172852 4493.04736328125 4.17 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8101 183.03303527832 6156.767578125 5.71 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8102 183.074356079102 4537.5751953125 4.21 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8103 184.004486083984 34825.13671875 32.3 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8104 187.02799987793 13832.9482421875 12.83 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8105 192.031799316406 21062.65234375 19.54 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8106 194.048919677734 15237.623046875 14.13 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8107 199.027694702148 2852.01000976562 2.65 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8108 201.043640136719 6691.6064453125 6.21 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8109 202.015228271484 6205.7841796875 5.76 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8110 206.01252746582 5024.869140625 4.66 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8111 207.019683837891 5718.814453125 5.3 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8112 210.043426513672 21038.609375 19.51 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8113 212.058792114258 23444.162109375 21.74 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8114 216.12255859375 3983.77563476562 3.7 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8115 224.022918701172 27374.416015625 25.39 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8116 226.31071472168 2903.41137695312 2.69 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8117 232.589385986328 3353.01708984375 3.11 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8118 235.027587890625 11870.7802734375 11.01 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8119 235.075180053711 4295.79638671875 3.98 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8120 238.038330078125 64149.9453125 59.5 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8121 242.033279418945 13365.6953125 12.4 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8122 256.048919677734 107814.1484375 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8123 257.906707763672 2842.23803710938 2.64 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8124 261.055084228516 24014.6796875 22.27 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8125 279.065277099609 18450.875 17.11 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8126 280.126678466797 4697.37060546875 4.36 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8127 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8128 RECORD_TITLE: MZ:280.0488 | RT:70.5 | grpid:315 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8129 MS$FOCUSED_ION: PRECURSOR_M/Z 280.048767089844 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8130 AC$CHROMATOGRAPHY: RETENTION_TIME 70.461672 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8131 XCMS groupid (grpid): 315 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8132 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8133 PK$NUM_PEAK: 39 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8134 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8135 116.985786437988 33421.9296875 31 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8136 120.081001281738 11129.6591796875 10.32 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8137 123.669364929199 2818.08227539062 2.61 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8138 124.297996520996 2718.25439453125 2.52 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8139 134.996856689453 30773.3515625 28.54 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8140 135.777297973633 2776.31372070312 2.58 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8141 140.002090454102 4177.95703125 3.88 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8142 149.023239135742 11645.5498046875 10.8 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8143 150.026840209961 13410.5322265625 12.44 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8144 153.0068359375 5393.45361328125 5 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8145 158.012222290039 11300.4365234375 10.48 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8146 165.993804931641 5124.900390625 4.75 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8147 169.017227172852 4493.04736328125 4.17 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8148 183.03303527832 6156.767578125 5.71 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8149 183.074356079102 4537.5751953125 4.21 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8150 184.004486083984 34825.13671875 32.3 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8151 187.02799987793 13832.9482421875 12.83 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8152 192.031799316406 21062.65234375 19.54 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8153 194.048919677734 15237.623046875 14.13 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8154 199.027694702148 2852.01000976562 2.65 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8155 201.043640136719 6691.6064453125 6.21 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8156 202.015228271484 6205.7841796875 5.76 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8157 206.01252746582 5024.869140625 4.66 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8158 207.019683837891 5718.814453125 5.3 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8159 210.043426513672 21038.609375 19.51 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8160 212.058792114258 23444.162109375 21.74 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8161 216.12255859375 3983.77563476562 3.7 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8162 224.022918701172 27374.416015625 25.39 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8163 226.31071472168 2903.41137695312 2.69 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8164 232.589385986328 3353.01708984375 3.11 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8165 235.027587890625 11870.7802734375 11.01 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8166 235.075180053711 4295.79638671875 3.98 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8167 238.038330078125 64149.9453125 59.5 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8168 242.033279418945 13365.6953125 12.4 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8169 256.048919677734 107814.1484375 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8170 257.906707763672 2842.23803710938 2.64 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8171 261.055084228516 24014.6796875 22.27 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8172 279.065277099609 18450.875 17.11 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8173 280.126678466797 4697.37060546875 4.36 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8174 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8175 RECORD_TITLE: MZ:280.0488 | RT:70.6 | grpid:315 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8176 MS$FOCUSED_ION: PRECURSOR_M/Z 280.048767089844 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8177 AC$CHROMATOGRAPHY: RETENTION_TIME 70.627524 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8178 XCMS groupid (grpid): 315 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8179 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8180 PK$NUM_PEAK: 55 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8181 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8182 116.986145019531 90175.0546875 39.39 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8183 122.500762939453 2979.67431640625 1.3 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8184 126.041282653809 2491.48876953125 1.09 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8185 134.996520996094 69683.921875 30.44 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8186 135.49528503418 2877.74267578125 1.26 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8187 136.076446533203 2825.89599609375 1.23 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8188 140.002105712891 17324.423828125 7.57 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8189 149.023315429688 6188.7568359375 2.7 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8190 150.026840209961 14024.232421875 6.13 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8191 153.00715637207 5269.6083984375 2.3 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8192 158.012557983398 26838.8359375 11.72 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8193 165.993453979492 21357.70703125 9.33 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8194 169.017684936523 22446.642578125 9.8 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8195 176.023086547852 3675.767578125 1.61 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8196 181.017181396484 10685.3251953125 4.67 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8197 183.033020019531 17021.66015625 7.43 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8198 183.073638916016 4145.4111328125 1.81 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8199 184.004364013672 93690.78125 40.92 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8200 187.028121948242 27162.12109375 11.86 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8201 189.010116577148 3022.36352539062 1.32 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8202 192.032958984375 60132.24609375 26.26 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8203 194.048858642578 45500.17578125 19.87 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8204 196.004333496094 4326.826171875 1.89 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8205 197.012634277344 5415.9453125 2.37 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8206 199.027328491211 3211.62231445312 1.4 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8207 201.04377746582 27710.078125 12.1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8208 202.015289306641 23209.02734375 10.14 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8209 206.01237487793 16058.1005859375 7.01 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8210 207.020263671875 28911.111328125 12.63 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8211 208.028656005859 6188.95556640625 2.7 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8212 209.879653930664 2802.0390625 1.22 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8213 210.043792724609 56488.05859375 24.67 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8214 212.058700561523 40054.265625 17.49 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8215 214.049499511719 3524.46118164062 1.54 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8216 220.028350830078 27485.8828125 12.01 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8217 224.023071289062 51054.2734375 22.3 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8218 225.031646728516 4745.40576171875 2.07 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8219 233.060745239258 14478.4443359375 6.32 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8220 235.028106689453 23754.62109375 10.38 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8221 235.074905395508 17054.966796875 7.45 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8222 238.038360595703 160082.4375 69.92 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8223 242.033233642578 39547.27734375 17.27 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8224 247.039764404297 10463.0517578125 4.57 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8225 252.053573608398 3761.64624023438 1.64 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8226 253.038848876953 11243.70703125 4.91 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8227 256.048950195312 228947.234375 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8228 258.058746337891 2875.9072265625 1.26 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8229 260.416839599609 3550.6279296875 1.55 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8230 261.054290771484 76607.53125 33.46 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8231 274.060211181641 10396.4326171875 4.54 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8232 279.064910888672 59201.4765625 25.86 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8233 279.905609130859 3107.13793945312 1.36 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8234 280.049163818359 13564.6298828125 5.92 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8235 280.126281738281 3274.9765625 1.43 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8236 302.081359863281 12904.4560546875 5.64 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8237 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8238 RECORD_TITLE: MZ:280.0488 | RT:70.6 | grpid:315 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8239 MS$FOCUSED_ION: PRECURSOR_M/Z 280.048767089844 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8240 AC$CHROMATOGRAPHY: RETENTION_TIME 70.627524 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8241 XCMS groupid (grpid): 315 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8242 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8243 PK$NUM_PEAK: 55 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8244 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8245 116.986145019531 90175.0546875 39.39 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8246 122.500762939453 2979.67431640625 1.3 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8247 126.041282653809 2491.48876953125 1.09 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8248 134.996520996094 69683.921875 30.44 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8249 135.49528503418 2877.74267578125 1.26 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8250 136.076446533203 2825.89599609375 1.23 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8251 140.002105712891 17324.423828125 7.57 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8252 149.023315429688 6188.7568359375 2.7 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8253 150.026840209961 14024.232421875 6.13 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8254 153.00715637207 5269.6083984375 2.3 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8255 158.012557983398 26838.8359375 11.72 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8256 165.993453979492 21357.70703125 9.33 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8257 169.017684936523 22446.642578125 9.8 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8258 176.023086547852 3675.767578125 1.61 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8259 181.017181396484 10685.3251953125 4.67 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8260 183.033020019531 17021.66015625 7.43 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8261 183.073638916016 4145.4111328125 1.81 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8262 184.004364013672 93690.78125 40.92 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8263 187.028121948242 27162.12109375 11.86 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8264 189.010116577148 3022.36352539062 1.32 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8265 192.032958984375 60132.24609375 26.26 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8266 194.048858642578 45500.17578125 19.87 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8267 196.004333496094 4326.826171875 1.89 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8268 197.012634277344 5415.9453125 2.37 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8269 199.027328491211 3211.62231445312 1.4 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8270 201.04377746582 27710.078125 12.1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8271 202.015289306641 23209.02734375 10.14 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8272 206.01237487793 16058.1005859375 7.01 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8273 207.020263671875 28911.111328125 12.63 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8274 208.028656005859 6188.95556640625 2.7 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8275 209.879653930664 2802.0390625 1.22 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8276 210.043792724609 56488.05859375 24.67 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8277 212.058700561523 40054.265625 17.49 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8278 214.049499511719 3524.46118164062 1.54 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8279 220.028350830078 27485.8828125 12.01 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8280 224.023071289062 51054.2734375 22.3 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8281 225.031646728516 4745.40576171875 2.07 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8282 233.060745239258 14478.4443359375 6.32 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8283 235.028106689453 23754.62109375 10.38 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8284 235.074905395508 17054.966796875 7.45 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8285 238.038360595703 160082.4375 69.92 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8286 242.033233642578 39547.27734375 17.27 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8287 247.039764404297 10463.0517578125 4.57 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8288 252.053573608398 3761.64624023438 1.64 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8289 253.038848876953 11243.70703125 4.91 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8290 256.048950195312 228947.234375 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8291 258.058746337891 2875.9072265625 1.26 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8292 260.416839599609 3550.6279296875 1.55 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8293 261.054290771484 76607.53125 33.46 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8294 274.060211181641 10396.4326171875 4.54 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8295 279.064910888672 59201.4765625 25.86 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8296 279.905609130859 3107.13793945312 1.36 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8297 280.049163818359 13564.6298828125 5.92 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8298 280.126281738281 3274.9765625 1.43 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8299 302.081359863281 12904.4560546875 5.64 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8300 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8301 RECORD_TITLE: MZ:281.1524 | RT:75 | grpid:320 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8302 MS$FOCUSED_ION: PRECURSOR_M/Z 281.152435302734 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8303 AC$CHROMATOGRAPHY: RETENTION_TIME 75.040038 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8304 XCMS groupid (grpid): 320 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8305 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8306 PK$NUM_PEAK: 8 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8307 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8308 101.264610290527 2750.7802734375 0.33 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8309 103.05460357666 25212.22265625 3.05 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8310 120.081024169922 825684.1875 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8311 134.044647216797 5622.82958984375 0.68 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8312 143.130569458008 2861.20629882812 0.35 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8313 157.364059448242 2556.23803710938 0.31 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8314 196.631576538086 2650.54321289062 0.32 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8315 239.329803466797 2676.6943359375 0.32 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8316 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8317 RECORD_TITLE: MZ:281.1524 | RT:75 | grpid:320 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8318 MS$FOCUSED_ION: PRECURSOR_M/Z 281.152435302734 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8319 AC$CHROMATOGRAPHY: RETENTION_TIME 75.040038 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8320 XCMS groupid (grpid): 320 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8321 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8322 PK$NUM_PEAK: 8 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8323 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8324 101.264610290527 2750.7802734375 0.33 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8325 103.05460357666 25212.22265625 3.05 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8326 120.081024169922 825684.1875 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8327 134.044647216797 5622.82958984375 0.68 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8328 143.130569458008 2861.20629882812 0.35 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8329 157.364059448242 2556.23803710938 0.31 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8330 196.631576538086 2650.54321289062 0.32 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8331 239.329803466797 2676.6943359375 0.32 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8332 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8333 RECORD_TITLE: MZ:281.1525 | RT:75.2 | grpid:320 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8334 MS$FOCUSED_ION: PRECURSOR_M/Z 281.152526855469 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8335 AC$CHROMATOGRAPHY: RETENTION_TIME 75.21942 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8336 XCMS groupid (grpid): 320 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8337 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8338 PK$NUM_PEAK: 10 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8339 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8340 103.054763793945 34028.828125 3.95 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8341 119.951507568359 2629.16333007812 0.31 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8342 120.081024169922 861520.9375 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8343 134.045181274414 4133.95068359375 0.48 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8344 150.797470092773 2805.65991210938 0.33 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8345 153.656585693359 2774.79541015625 0.32 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8346 153.720336914062 3543.21435546875 0.41 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8347 189.584426879883 3025.72802734375 0.35 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8348 221.813919067383 2534.84301757812 0.29 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8349 267.996520996094 2868.07666015625 0.33 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8350 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8351 RECORD_TITLE: MZ:281.1525 | RT:75.2 | grpid:320 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8352 MS$FOCUSED_ION: PRECURSOR_M/Z 281.152526855469 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8353 AC$CHROMATOGRAPHY: RETENTION_TIME 75.21942 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8354 XCMS groupid (grpid): 320 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8355 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8356 PK$NUM_PEAK: 10 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8357 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8358 103.054763793945 34028.828125 3.95 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8359 119.951507568359 2629.16333007812 0.31 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8360 120.081024169922 861520.9375 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8361 134.045181274414 4133.95068359375 0.48 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8362 150.797470092773 2805.65991210938 0.33 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8363 153.656585693359 2774.79541015625 0.32 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8364 153.720336914062 3543.21435546875 0.41 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8365 189.584426879883 3025.72802734375 0.35 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8366 221.813919067383 2534.84301757812 0.29 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8367 267.996520996094 2868.07666015625 0.33 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8368 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8369 RECORD_TITLE: MZ:285.0824 | RT:83.4 | grpid:329 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8370 MS$FOCUSED_ION: PRECURSOR_M/Z 285.082427978516 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8371 AC$CHROMATOGRAPHY: RETENTION_TIME 83.441172 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8372 XCMS groupid (grpid): 329 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8373 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8374 PK$NUM_PEAK: 14 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8375 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8376 103.039367675781 34832.5 1.31 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8377 110.035171508789 114180.3125 4.3 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8378 110.071548461914 6402.4853515625 0.24 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8379 115.039337158203 143172.0625 5.39 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8380 115.047416687012 6747.39404296875 0.25 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8381 116.07063293457 4897.9365234375 0.18 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8382 128.045608520508 31904.515625 1.2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8383 133.0107421875 3597.33544921875 0.14 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8384 133.049575805664 164647.703125 6.2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8385 136.014129638672 190198.140625 7.16 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8386 142.105499267578 4813.17431640625 0.18 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8387 153.040679931641 2656807.5 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8388 154.024673461914 285199.78125 10.73 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8389 154.037857055664 4174.63427734375 0.16 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8390 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8391 RECORD_TITLE: MZ:285.0824 | RT:83.4 | grpid:329 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8392 MS$FOCUSED_ION: PRECURSOR_M/Z 285.082427978516 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8393 AC$CHROMATOGRAPHY: RETENTION_TIME 83.441172 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8394 XCMS groupid (grpid): 329 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8395 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8396 PK$NUM_PEAK: 14 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8397 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8398 103.039367675781 34832.5 1.31 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8399 110.035171508789 114180.3125 4.3 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8400 110.071548461914 6402.4853515625 0.24 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8401 115.039337158203 143172.0625 5.39 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8402 115.047416687012 6747.39404296875 0.25 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8403 116.07063293457 4897.9365234375 0.18 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8404 128.045608520508 31904.515625 1.2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8405 133.0107421875 3597.33544921875 0.14 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8406 133.049575805664 164647.703125 6.2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8407 136.014129638672 190198.140625 7.16 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8408 142.105499267578 4813.17431640625 0.18 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8409 153.040679931641 2656807.5 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8410 154.024673461914 285199.78125 10.73 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8411 154.037857055664 4174.63427734375 0.16 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8412 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8413 RECORD_TITLE: MZ:285.0825 | RT:83.6 | grpid:329 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8414 MS$FOCUSED_ION: PRECURSOR_M/Z 285.082458496094 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8415 AC$CHROMATOGRAPHY: RETENTION_TIME 83.64567 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8416 XCMS groupid (grpid): 329 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8417 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8418 PK$NUM_PEAK: 11 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8419 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8420 103.039260864258 28734.193359375 1.33 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8421 110.035217285156 91303.421875 4.22 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8422 110.071723937988 13147.5751953125 0.61 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8423 115.039222717285 115791.296875 5.35 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8424 128.045837402344 25904.94140625 1.2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8425 133.049606323242 146196.078125 6.76 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8426 136.014099121094 173105.734375 8 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8427 141.1025390625 4594.5947265625 0.21 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8428 153.040664672852 2162515.5 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8429 154.024627685547 236670.3125 10.94 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8430 154.037643432617 3128.84204101562 0.14 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8431 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8432 RECORD_TITLE: MZ:285.0825 | RT:83.6 | grpid:329 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8433 MS$FOCUSED_ION: PRECURSOR_M/Z 285.082458496094 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8434 AC$CHROMATOGRAPHY: RETENTION_TIME 83.64567 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8435 XCMS groupid (grpid): 329 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8436 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8437 PK$NUM_PEAK: 11 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8438 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8439 103.039260864258 28734.193359375 1.33 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8440 110.035217285156 91303.421875 4.22 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8441 110.071723937988 13147.5751953125 0.61 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8442 115.039222717285 115791.296875 5.35 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8443 128.045837402344 25904.94140625 1.2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8444 133.049606323242 146196.078125 6.76 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8445 136.014099121094 173105.734375 8 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8446 141.1025390625 4594.5947265625 0.21 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8447 153.040664672852 2162515.5 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8448 154.024627685547 236670.3125 10.94 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8449 154.037643432617 3128.84204101562 0.14 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8450 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8451 RECORD_TITLE: MZ:285.0825 | RT:83.6 | grpid:329 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8452 MS$FOCUSED_ION: PRECURSOR_M/Z 285.08251953125 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8453 AC$CHROMATOGRAPHY: RETENTION_TIME 83.64567 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8454 XCMS groupid (grpid): 329 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8455 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8456 PK$NUM_PEAK: 14 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8457 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8458 102.877166748047 11391.2080078125 0.29 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8459 103.039733886719 70818.046875 1.77 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8460 108.379875183105 10036.453125 0.25 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8461 110.035354614258 195952.484375 4.91 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8462 115.039245605469 235067.4375 5.89 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8463 128.045989990234 15684.4697265625 0.39 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8464 133.049682617188 278702.75 6.98 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8465 136.014266967773 390351.4375 9.78 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8466 153.040725708008 3993260.75 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8467 154.024703979492 390008.625 9.77 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8468 169.74462890625 11478.4873046875 0.29 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8469 276.099914550781 12241.7314453125 0.31 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8470 283.922821044922 10031.16015625 0.25 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8471 301.9716796875 10684.52734375 0.27 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8472 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8473 RECORD_TITLE: MZ:285.0825 | RT:83.6 | grpid:329 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8474 MS$FOCUSED_ION: PRECURSOR_M/Z 285.08251953125 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8475 AC$CHROMATOGRAPHY: RETENTION_TIME 83.64567 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8476 XCMS groupid (grpid): 329 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8477 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8478 PK$NUM_PEAK: 14 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8479 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8480 102.877166748047 11391.2080078125 0.29 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8481 103.039733886719 70818.046875 1.77 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8482 108.379875183105 10036.453125 0.25 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8483 110.035354614258 195952.484375 4.91 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8484 115.039245605469 235067.4375 5.89 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8485 128.045989990234 15684.4697265625 0.39 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8486 133.049682617188 278702.75 6.98 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8487 136.014266967773 390351.4375 9.78 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8488 153.040725708008 3993260.75 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8489 154.024703979492 390008.625 9.77 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8490 169.74462890625 11478.4873046875 0.29 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8491 276.099914550781 12241.7314453125 0.31 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8492 283.922821044922 10031.16015625 0.25 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8493 301.9716796875 10684.52734375 0.27 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8494 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8495 RECORD_TITLE: MZ:287.0512 | RT:43.2 | grpid:332 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8496 MS$FOCUSED_ION: PRECURSOR_M/Z 287.051239013672 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8497 AC$CHROMATOGRAPHY: RETENTION_TIME 43.1829192 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8498 XCMS groupid (grpid): 332 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8499 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8500 PK$NUM_PEAK: 12 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8501 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8502 111.116577148438 2635.97485351562 3.74 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8503 113.805793762207 2529.7333984375 3.59 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8504 127.086990356445 3527.62426757812 5 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8505 160.03483581543 3110.06176757812 4.41 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8506 176.903930664062 2737.58935546875 3.88 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8507 194.251007080078 2985.20288085938 4.23 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8508 200.040542602539 2946.06127929688 4.18 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8509 214.034713745117 5480.310546875 7.77 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8510 230.111846923828 3778.5263671875 5.36 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8511 269.040222167969 2981.3544921875 4.23 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8512 287.050201416016 70541.3828125 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8513 304.021636962891 2973.06982421875 4.21 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8514 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8515 RECORD_TITLE: MZ:287.0512 | RT:43.2 | grpid:332 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8516 MS$FOCUSED_ION: PRECURSOR_M/Z 287.051239013672 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8517 AC$CHROMATOGRAPHY: RETENTION_TIME 43.1829192 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8518 XCMS groupid (grpid): 332 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8519 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8520 PK$NUM_PEAK: 12 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8521 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8522 111.116577148438 2635.97485351562 3.74 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8523 113.805793762207 2529.7333984375 3.59 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8524 127.086990356445 3527.62426757812 5 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8525 160.03483581543 3110.06176757812 4.41 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8526 176.903930664062 2737.58935546875 3.88 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8527 194.251007080078 2985.20288085938 4.23 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8528 200.040542602539 2946.06127929688 4.18 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8529 214.034713745117 5480.310546875 7.77 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8530 230.111846923828 3778.5263671875 5.36 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8531 269.040222167969 2981.3544921875 4.23 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8532 287.050201416016 70541.3828125 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8533 304.021636962891 2973.06982421875 4.21 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8534 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8535 RECORD_TITLE: MZ:292.1975 | RT:44.8 | grpid:346 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8536 MS$FOCUSED_ION: PRECURSOR_M/Z 292.197509765625 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8537 AC$CHROMATOGRAPHY: RETENTION_TIME 44.7995376 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8538 XCMS groupid (grpid): 346 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8539 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8540 PK$NUM_PEAK: 17 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8541 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8542 112.08748626709 146886.8125 0.82 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8543 112.094039916992 21488.705078125 0.12 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8544 113.071746826172 19570.8203125 0.11 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8545 114.102615356445 20782.029296875 0.12 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8546 115.087265014648 22572.4765625 0.13 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8547 116.070877075195 1167010.625 6.51 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8548 118.086471557617 17936758 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8549 130.088272094727 18935.30078125 0.11 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8550 130.097534179688 535976.9375 2.99 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8551 157.108123779297 159862.4375 0.89 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8552 158.092407226562 499801.9375 2.79 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8553 173.093551635742 16882.005859375 0.09 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8554 175.118896484375 6728599.5 37.51 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8555 248.061279296875 26782.0078125 0.15 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8556 287.312866210938 15858.4033203125 0.09 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8557 303.088562011719 14864.9921875 0.08 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8558 309.474395751953 14699.423828125 0.08 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8559 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8560 RECORD_TITLE: MZ:292.1975 | RT:44.8 | grpid:346 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8561 MS$FOCUSED_ION: PRECURSOR_M/Z 292.197509765625 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8562 AC$CHROMATOGRAPHY: RETENTION_TIME 44.7995376 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8563 XCMS groupid (grpid): 346 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8564 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8565 PK$NUM_PEAK: 17 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8566 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8567 112.08748626709 146886.8125 0.82 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8568 112.094039916992 21488.705078125 0.12 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8569 113.071746826172 19570.8203125 0.11 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8570 114.102615356445 20782.029296875 0.12 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8571 115.087265014648 22572.4765625 0.13 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8572 116.070877075195 1167010.625 6.51 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8573 118.086471557617 17936758 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8574 130.088272094727 18935.30078125 0.11 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8575 130.097534179688 535976.9375 2.99 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8576 157.108123779297 159862.4375 0.89 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8577 158.092407226562 499801.9375 2.79 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8578 173.093551635742 16882.005859375 0.09 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8579 175.118896484375 6728599.5 37.51 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8580 248.061279296875 26782.0078125 0.15 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8581 287.312866210938 15858.4033203125 0.09 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8582 303.088562011719 14864.9921875 0.08 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8583 309.474395751953 14699.423828125 0.08 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8584 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8585 RECORD_TITLE: MZ:294.1542 | RT:92.7 | grpid:350 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8586 MS$FOCUSED_ION: PRECURSOR_M/Z 294.154174804688 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8587 AC$CHROMATOGRAPHY: RETENTION_TIME 92.725812 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8588 XCMS groupid (grpid): 350 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8589 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8590 PK$NUM_PEAK: 34 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8591 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8592 100.039588928223 12116.9365234375 2.56 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8593 100.112373352051 6914.2412109375 1.46 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8594 110.096420288086 3424.94165039062 0.72 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8595 110.853393554688 3369.05786132812 0.71 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8596 112.039672851562 32027.3125 6.77 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8597 116.107368469238 41405.6015625 8.75 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8598 127.03923034668 60730.89453125 12.83 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8599 128.107162475586 40561.765625 8.57 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8600 132.092514038086 5388.255859375 1.14 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8601 132.102005004883 103454.9296875 21.86 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8602 138.055130004883 7344.48583984375 1.55 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8603 140.10693359375 11811.27734375 2.5 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8604 143.057556152344 38482.171875 8.13 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8605 144.065277099609 4361.083984375 0.92 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8606 144.101852416992 68717.4140625 14.52 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8607 145.049713134766 5195.7734375 1.1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8608 152.107177734375 3686.92651367188 0.78 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8609 156.06575012207 4761.87841796875 1.01 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8610 161.068206787109 44467.93359375 9.4 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8611 164.107070922852 20499.1796875 4.33 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8612 168.101623535156 15432.5830078125 3.26 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8613 170.117691040039 17919.076171875 3.79 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8614 174.113311767578 5293.681640625 1.12 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8615 182.11735534668 6294.22216796875 1.33 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8616 194.117630004883 5075.8837890625 1.07 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8617 196.058380126953 3165.51000976562 0.67 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8618 210.112579345703 24667.384765625 5.21 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8619 212.128082275391 115336.734375 24.38 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8620 230.138565063477 473169.375 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8621 240.122009277344 3350.65454101562 0.71 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8622 248.149124145508 63486.26171875 13.42 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8623 258.133422851562 269774.625 57.01 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8624 276.144012451172 289220.21875 61.12 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8625 283.004730224609 3476.09790039062 0.73 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8626 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8627 RECORD_TITLE: MZ:294.1542 | RT:92.7 | grpid:350 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8628 MS$FOCUSED_ION: PRECURSOR_M/Z 294.154174804688 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8629 AC$CHROMATOGRAPHY: RETENTION_TIME 92.725812 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8630 XCMS groupid (grpid): 350 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8631 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8632 PK$NUM_PEAK: 34 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8633 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8634 100.039588928223 12116.9365234375 2.56 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8635 100.112373352051 6914.2412109375 1.46 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8636 110.096420288086 3424.94165039062 0.72 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8637 110.853393554688 3369.05786132812 0.71 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8638 112.039672851562 32027.3125 6.77 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8639 116.107368469238 41405.6015625 8.75 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8640 127.03923034668 60730.89453125 12.83 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8641 128.107162475586 40561.765625 8.57 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8642 132.092514038086 5388.255859375 1.14 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8643 132.102005004883 103454.9296875 21.86 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8644 138.055130004883 7344.48583984375 1.55 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8645 140.10693359375 11811.27734375 2.5 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8646 143.057556152344 38482.171875 8.13 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8647 144.065277099609 4361.083984375 0.92 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8648 144.101852416992 68717.4140625 14.52 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8649 145.049713134766 5195.7734375 1.1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8650 152.107177734375 3686.92651367188 0.78 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8651 156.06575012207 4761.87841796875 1.01 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8652 161.068206787109 44467.93359375 9.4 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8653 164.107070922852 20499.1796875 4.33 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8654 168.101623535156 15432.5830078125 3.26 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8655 170.117691040039 17919.076171875 3.79 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8656 174.113311767578 5293.681640625 1.12 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8657 182.11735534668 6294.22216796875 1.33 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8658 194.117630004883 5075.8837890625 1.07 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8659 196.058380126953 3165.51000976562 0.67 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8660 210.112579345703 24667.384765625 5.21 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8661 212.128082275391 115336.734375 24.38 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8662 230.138565063477 473169.375 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8663 240.122009277344 3350.65454101562 0.71 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8664 248.149124145508 63486.26171875 13.42 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8665 258.133422851562 269774.625 57.01 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8666 276.144012451172 289220.21875 61.12 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8667 283.004730224609 3476.09790039062 0.73 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8668 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8669 RECORD_TITLE: MZ:294.1543 | RT:92.7 | grpid:350 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8670 MS$FOCUSED_ION: PRECURSOR_M/Z 294.154296875 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8671 AC$CHROMATOGRAPHY: RETENTION_TIME 92.725812 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8672 XCMS groupid (grpid): 350 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8673 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8674 PK$NUM_PEAK: 49 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8675 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8676 100.039855957031 11945.4833984375 2.27 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8677 100.11254119873 3537.12866210938 0.67 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8678 101.024070739746 3956.35595703125 0.75 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8679 103.039573669434 2966.87817382812 0.56 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8680 109.028465270996 5073.76904296875 0.96 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8681 110.060562133789 12437.3388671875 2.36 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8682 110.097053527832 4487.48828125 0.85 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8683 111.044372558594 17267.955078125 3.28 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8684 111.381683349609 3390.00854492188 0.64 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8685 112.039657592773 63292.5859375 12.01 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8686 112.559852600098 3083.8427734375 0.59 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8687 114.055534362793 7010.8505859375 1.33 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8688 125.04761505127 3223.23876953125 0.61 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8689 126.055030822754 7347.9443359375 1.39 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8690 126.091453552246 4696.2109375 0.89 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8691 127.039024353027 94030.3828125 17.84 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8692 127.134880065918 3145.29052734375 0.6 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8693 128.107070922852 68264.796875 12.95 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8694 132.101989746094 179045.65625 33.98 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8695 138.054534912109 13677.5537109375 2.6 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8696 140.106857299805 13554.361328125 2.57 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8697 143.057662963867 73734.296875 13.99 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8698 144.102035522461 66228.953125 12.57 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8699 145.049575805664 21716.580078125 4.12 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8700 152.107208251953 5472.5517578125 1.04 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8701 156.065551757812 18423.76953125 3.5 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8702 158.119232177734 3554.89721679688 0.67 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8703 161.068344116211 90903.25 17.25 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8704 164.106948852539 18641.60546875 3.54 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8705 166.049179077148 4754.61181640625 0.9 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8706 166.122314453125 7161.84716796875 1.36 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8707 168.101852416992 19549.287109375 3.71 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8708 169.073394775391 4109.31298828125 0.78 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8709 170.117279052734 17377.267578125 3.3 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8710 174.112106323242 3960.05908203125 0.75 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8711 182.117858886719 6982.83203125 1.33 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8712 184.059997558594 6152.68310546875 1.17 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8713 194.117279052734 18366.19921875 3.49 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8714 202.070388793945 6409.5205078125 1.22 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8715 210.112426757812 56363.68359375 10.7 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8716 212.127944946289 157259.921875 29.84 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8717 217.009780883789 3030.94580078125 0.58 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8718 220.081756591797 25174.337890625 4.78 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8719 221.114456176758 3178.37231445312 0.6 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8720 230.138610839844 526945.9375 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8721 248.148956298828 50961.2109375 9.67 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8722 258.133422851562 429868.0625 81.58 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8723 263.925018310547 2871.33056640625 0.54 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8724 276.143981933594 370881.4375 70.38 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8725 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8726 RECORD_TITLE: MZ:294.1543 | RT:92.7 | grpid:350 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8727 MS$FOCUSED_ION: PRECURSOR_M/Z 294.154296875 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8728 AC$CHROMATOGRAPHY: RETENTION_TIME 92.725812 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8729 XCMS groupid (grpid): 350 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8730 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8731 PK$NUM_PEAK: 49 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8732 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8733 100.039855957031 11945.4833984375 2.27 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8734 100.11254119873 3537.12866210938 0.67 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8735 101.024070739746 3956.35595703125 0.75 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8736 103.039573669434 2966.87817382812 0.56 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8737 109.028465270996 5073.76904296875 0.96 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8738 110.060562133789 12437.3388671875 2.36 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8739 110.097053527832 4487.48828125 0.85 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8740 111.044372558594 17267.955078125 3.28 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8741 111.381683349609 3390.00854492188 0.64 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8742 112.039657592773 63292.5859375 12.01 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8743 112.559852600098 3083.8427734375 0.59 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8744 114.055534362793 7010.8505859375 1.33 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8745 125.04761505127 3223.23876953125 0.61 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8746 126.055030822754 7347.9443359375 1.39 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8747 126.091453552246 4696.2109375 0.89 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8748 127.039024353027 94030.3828125 17.84 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8749 127.134880065918 3145.29052734375 0.6 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8750 128.107070922852 68264.796875 12.95 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8751 132.101989746094 179045.65625 33.98 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8752 138.054534912109 13677.5537109375 2.6 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8753 140.106857299805 13554.361328125 2.57 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8754 143.057662963867 73734.296875 13.99 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8755 144.102035522461 66228.953125 12.57 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8756 145.049575805664 21716.580078125 4.12 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8757 152.107208251953 5472.5517578125 1.04 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8758 156.065551757812 18423.76953125 3.5 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8759 158.119232177734 3554.89721679688 0.67 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8760 161.068344116211 90903.25 17.25 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8761 164.106948852539 18641.60546875 3.54 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8762 166.049179077148 4754.61181640625 0.9 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8763 166.122314453125 7161.84716796875 1.36 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8764 168.101852416992 19549.287109375 3.71 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8765 169.073394775391 4109.31298828125 0.78 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8766 170.117279052734 17377.267578125 3.3 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8767 174.112106323242 3960.05908203125 0.75 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8768 182.117858886719 6982.83203125 1.33 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8769 184.059997558594 6152.68310546875 1.17 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8770 194.117279052734 18366.19921875 3.49 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8771 202.070388793945 6409.5205078125 1.22 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8772 210.112426757812 56363.68359375 10.7 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8773 212.127944946289 157259.921875 29.84 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8774 217.009780883789 3030.94580078125 0.58 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8775 220.081756591797 25174.337890625 4.78 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8776 221.114456176758 3178.37231445312 0.6 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8777 230.138610839844 526945.9375 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8778 248.148956298828 50961.2109375 9.67 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8779 258.133422851562 429868.0625 81.58 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8780 263.925018310547 2871.33056640625 0.54 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8781 276.143981933594 370881.4375 70.38 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8782 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8783 RECORD_TITLE: MZ:294.1543 | RT:92.7 | grpid:350 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8784 MS$FOCUSED_ION: PRECURSOR_M/Z 294.154266357422 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8785 AC$CHROMATOGRAPHY: RETENTION_TIME 92.725812 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8786 XCMS groupid (grpid): 350 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8787 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8788 PK$NUM_PEAK: 17 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8789 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8790 112.03931427002 4738.89697265625 8.46 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8791 127.039451599121 6637.46044921875 11.85 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8792 128.106857299805 4131.669921875 7.38 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8793 132.102157592773 16244.3935546875 29 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8794 143.057373046875 4329.37890625 7.73 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8795 144.101577758789 4709.18310546875 8.41 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8796 156.065139770508 3411.55810546875 6.09 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8797 161.068740844727 3975.96484375 7.1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8798 195.074645996094 6018.2216796875 10.74 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8799 210.112716674805 4323.24609375 7.72 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8800 212.128311157227 14840.1083984375 26.49 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8801 230.138580322266 55673.28515625 99.39 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8802 248.148101806641 5323.71923828125 9.5 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8803 258.134094238281 56012.828125 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8804 276.144348144531 39232.16796875 70.04 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8805 294.142822265625 3321.01489257812 5.93 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8806 301.394378662109 2792.884765625 4.99 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8807 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8808 RECORD_TITLE: MZ:294.1543 | RT:92.7 | grpid:350 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8809 MS$FOCUSED_ION: PRECURSOR_M/Z 294.154266357422 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8810 AC$CHROMATOGRAPHY: RETENTION_TIME 92.725812 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8811 XCMS groupid (grpid): 350 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8812 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8813 PK$NUM_PEAK: 17 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8814 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8815 112.03931427002 4738.89697265625 8.46 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8816 127.039451599121 6637.46044921875 11.85 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8817 128.106857299805 4131.669921875 7.38 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8818 132.102157592773 16244.3935546875 29 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8819 143.057373046875 4329.37890625 7.73 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8820 144.101577758789 4709.18310546875 8.41 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8821 156.065139770508 3411.55810546875 6.09 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8822 161.068740844727 3975.96484375 7.1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8823 195.074645996094 6018.2216796875 10.74 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8824 210.112716674805 4323.24609375 7.72 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8825 212.128311157227 14840.1083984375 26.49 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8826 230.138580322266 55673.28515625 99.39 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8827 248.148101806641 5323.71923828125 9.5 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8828 258.134094238281 56012.828125 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8829 276.144348144531 39232.16796875 70.04 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8830 294.142822265625 3321.01489257812 5.93 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8831 301.394378662109 2792.884765625 4.99 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8832 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8833 RECORD_TITLE: MZ:294.1443 | RT:127 | grpid:350 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8834 MS$FOCUSED_ION: PRECURSOR_M/Z 294.144256591797 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8835 AC$CHROMATOGRAPHY: RETENTION_TIME 126.956946 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8836 XCMS groupid (grpid): 350 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8837 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8838 PK$NUM_PEAK: 17 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8839 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8840 101.071441650391 34816.140625 3.33 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8841 102.055137634277 4712.90234375 0.45 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8842 103.054664611816 28540.345703125 2.73 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8843 105.877639770508 3483.6708984375 0.33 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8844 118.829322814941 2945.64819335938 0.28 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8845 120.081039428711 1047091.5625 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8846 130.050003051758 433653.25 41.42 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8847 131.049209594727 25237.34765625 2.41 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8848 132.102310180664 2949.71630859375 0.28 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8849 147.076416015625 379692.59375 36.26 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8850 165.101943969727 35044.9296875 3.35 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8851 186.090667724609 3819.80444335938 0.36 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8852 209.704132080078 2813.90551757812 0.27 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8853 242.080108642578 3713.76049804688 0.35 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8854 260.091583251953 6231.1533203125 0.6 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8855 277.118194580078 13311.5361328125 1.27 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8856 294.144134521484 15787.435546875 1.51 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8857 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8858 RECORD_TITLE: MZ:294.1443 | RT:127 | grpid:350 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8859 MS$FOCUSED_ION: PRECURSOR_M/Z 294.144256591797 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8860 AC$CHROMATOGRAPHY: RETENTION_TIME 126.956946 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8861 XCMS groupid (grpid): 350 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8862 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8863 PK$NUM_PEAK: 17 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8864 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8865 101.071441650391 34816.140625 3.33 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8866 102.055137634277 4712.90234375 0.45 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8867 103.054664611816 28540.345703125 2.73 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8868 105.877639770508 3483.6708984375 0.33 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8869 118.829322814941 2945.64819335938 0.28 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8870 120.081039428711 1047091.5625 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8871 130.050003051758 433653.25 41.42 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8872 131.049209594727 25237.34765625 2.41 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8873 132.102310180664 2949.71630859375 0.28 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8874 147.076416015625 379692.59375 36.26 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8875 165.101943969727 35044.9296875 3.35 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8876 186.090667724609 3819.80444335938 0.36 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8877 209.704132080078 2813.90551757812 0.27 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8878 242.080108642578 3713.76049804688 0.35 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8879 260.091583251953 6231.1533203125 0.6 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8880 277.118194580078 13311.5361328125 1.27 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8881 294.144134521484 15787.435546875 1.51 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8882 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8883 RECORD_TITLE: MZ:294.1542 | RT:92.9 | grpid:350 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8884 MS$FOCUSED_ION: PRECURSOR_M/Z 294.154235839844 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8885 AC$CHROMATOGRAPHY: RETENTION_TIME 92.927058 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8886 XCMS groupid (grpid): 350 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8887 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8888 PK$NUM_PEAK: 34 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8889 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8890 100.039581298828 6100.62353515625 1.43 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8891 100.112480163574 6374.77783203125 1.5 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8892 103.039588928223 3076.25048828125 0.72 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8893 109.442352294922 3162.3955078125 0.74 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8894 110.096412658691 5111.01220703125 1.2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8895 112.039413452148 31784.515625 7.46 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8896 115.986106872559 2768.38891601562 0.65 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8897 116.107551574707 32657.869140625 7.67 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8898 124.038887023926 3240.6171875 0.76 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8899 127.039138793945 61893.71484375 14.53 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8900 128.107269287109 42391.6171875 9.95 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8901 132.102035522461 104086 24.44 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8902 138.054885864258 5146.638671875 1.21 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8903 140.106323242188 5272.39208984375 1.24 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8904 142.452301025391 2796.87426757812 0.66 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8905 143.057632446289 31923.705078125 7.5 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8906 144.066101074219 4150.6162109375 0.97 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8907 144.101867675781 65890.5859375 15.47 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8908 145.049545288086 5817.22314453125 1.37 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8909 161.068267822266 47137.53125 11.07 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8910 164.106918334961 18073.5703125 4.24 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8911 168.101837158203 6165.30078125 1.45 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8912 170.117248535156 7225.15380859375 1.7 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8913 182.117706298828 5637.47509765625 1.32 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8914 194.117568969727 5011.36083984375 1.18 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8915 202.351867675781 2861.6162109375 0.67 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8916 210.11311340332 30784.28515625 7.23 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8917 210.129669189453 3687.68139648438 0.87 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8918 212.128311157227 111181.453125 26.11 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8919 230.138687133789 425898.21875 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8920 235.040023803711 3332.52368164062 0.78 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8921 248.149322509766 52210.234375 12.26 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8922 258.133483886719 255259.734375 59.93 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8923 276.143981933594 275148.625 64.6 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8924 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8925 RECORD_TITLE: MZ:294.1542 | RT:92.9 | grpid:350 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8926 MS$FOCUSED_ION: PRECURSOR_M/Z 294.154235839844 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8927 AC$CHROMATOGRAPHY: RETENTION_TIME 92.927058 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8928 XCMS groupid (grpid): 350 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8929 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8930 PK$NUM_PEAK: 34 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8931 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8932 100.039581298828 6100.62353515625 1.43 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8933 100.112480163574 6374.77783203125 1.5 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8934 103.039588928223 3076.25048828125 0.72 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8935 109.442352294922 3162.3955078125 0.74 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8936 110.096412658691 5111.01220703125 1.2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8937 112.039413452148 31784.515625 7.46 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8938 115.986106872559 2768.38891601562 0.65 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8939 116.107551574707 32657.869140625 7.67 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8940 124.038887023926 3240.6171875 0.76 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8941 127.039138793945 61893.71484375 14.53 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8942 128.107269287109 42391.6171875 9.95 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8943 132.102035522461 104086 24.44 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8944 138.054885864258 5146.638671875 1.21 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8945 140.106323242188 5272.39208984375 1.24 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8946 142.452301025391 2796.87426757812 0.66 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8947 143.057632446289 31923.705078125 7.5 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8948 144.066101074219 4150.6162109375 0.97 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8949 144.101867675781 65890.5859375 15.47 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8950 145.049545288086 5817.22314453125 1.37 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8951 161.068267822266 47137.53125 11.07 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8952 164.106918334961 18073.5703125 4.24 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8953 168.101837158203 6165.30078125 1.45 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8954 170.117248535156 7225.15380859375 1.7 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8955 182.117706298828 5637.47509765625 1.32 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8956 194.117568969727 5011.36083984375 1.18 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8957 202.351867675781 2861.6162109375 0.67 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8958 210.11311340332 30784.28515625 7.23 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8959 210.129669189453 3687.68139648438 0.87 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8960 212.128311157227 111181.453125 26.11 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8961 230.138687133789 425898.21875 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8962 235.040023803711 3332.52368164062 0.78 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8963 248.149322509766 52210.234375 12.26 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8964 258.133483886719 255259.734375 59.93 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8965 276.143981933594 275148.625 64.6 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8966 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8967 RECORD_TITLE: MZ:294.1543 | RT:92.9 | grpid:350 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8968 MS$FOCUSED_ION: PRECURSOR_M/Z 294.154266357422 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8969 AC$CHROMATOGRAPHY: RETENTION_TIME 92.927058 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8970 XCMS groupid (grpid): 350 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8971 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8972 PK$NUM_PEAK: 46 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8973 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8974 100.039398193359 6943.6611328125 1.37 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8975 100.112838745117 3517.724609375 0.69 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8976 108.044715881348 5075.48486328125 1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8977 109.028762817383 3518.97973632812 0.69 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8978 110.060173034668 5335.84228515625 1.05 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8979 111.044456481934 7202.50927734375 1.42 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8980 112.039627075195 69982.8828125 13.77 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8981 114.054962158203 7522.70703125 1.48 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8982 115.038757324219 3757.9150390625 0.74 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8983 116.107208251953 5378.05078125 1.06 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8984 118.049652099609 3018.99682617188 0.59 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8985 122.060455322266 4224.17333984375 0.83 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8986 125.048110961914 3349.43823242188 0.66 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8987 126.054931640625 6800.45947265625 1.34 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8988 126.091926574707 2745.97192382812 0.54 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8989 127.039161682129 68500.3046875 13.48 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8990 128.107284545898 68840.234375 13.55 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8991 132.101989746094 188093.140625 37.02 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8992 138.054840087891 17720.330078125 3.49 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8993 138.091400146484 3979.52783203125 0.78 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8994 140.107070922852 13942.1748046875 2.74 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8995 143.057708740234 73909.4765625 14.55 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8996 144.101989746094 65417.16796875 12.88 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8997 145.049468994141 14035.1279296875 2.76 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8998 152.106552124023 6772.66015625 1.33 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8999 156.065856933594 23545.328125 4.63 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9000 161.068115234375 80188.5546875 15.78 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9001 163.074829101562 3530.64184570312 0.69 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9002 164.107452392578 33111.4296875 6.52 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9003 166.049087524414 5023.00244140625 0.99 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9004 166.122802734375 5457.59716796875 1.07 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9005 168.102172851562 22264.28515625 4.38 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9006 170.117309570312 23073.28125 4.54 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9007 174.076141357422 5431.16455078125 1.07 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9008 174.112564086914 5989.57080078125 1.18 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9009 182.117980957031 15173.0595703125 2.99 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9010 184.060440063477 6674.87646484375 1.31 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9011 194.117584228516 16448.00390625 3.24 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9012 202.071670532227 4120.669921875 0.81 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9013 210.112442016602 43590.50390625 8.58 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9014 212.128082275391 145393.953125 28.62 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9015 220.082168579102 22131.724609375 4.36 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9016 230.138656616211 508058.0625 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9017 248.149200439453 51917.765625 10.22 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9018 258.133483886719 443114.375 87.22 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9019 276.143981933594 392024.59375 77.16 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9020 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9021 RECORD_TITLE: MZ:294.1543 | RT:92.9 | grpid:350 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9022 MS$FOCUSED_ION: PRECURSOR_M/Z 294.154266357422 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9023 AC$CHROMATOGRAPHY: RETENTION_TIME 92.927058 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9024 XCMS groupid (grpid): 350 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9025 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9026 PK$NUM_PEAK: 46 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9027 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9028 100.039398193359 6943.6611328125 1.37 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9029 100.112838745117 3517.724609375 0.69 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9030 108.044715881348 5075.48486328125 1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9031 109.028762817383 3518.97973632812 0.69 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9032 110.060173034668 5335.84228515625 1.05 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9033 111.044456481934 7202.50927734375 1.42 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9034 112.039627075195 69982.8828125 13.77 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9035 114.054962158203 7522.70703125 1.48 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9036 115.038757324219 3757.9150390625 0.74 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9037 116.107208251953 5378.05078125 1.06 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9038 118.049652099609 3018.99682617188 0.59 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9039 122.060455322266 4224.17333984375 0.83 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9040 125.048110961914 3349.43823242188 0.66 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9041 126.054931640625 6800.45947265625 1.34 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9042 126.091926574707 2745.97192382812 0.54 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9043 127.039161682129 68500.3046875 13.48 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9044 128.107284545898 68840.234375 13.55 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9045 132.101989746094 188093.140625 37.02 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9046 138.054840087891 17720.330078125 3.49 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9047 138.091400146484 3979.52783203125 0.78 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9048 140.107070922852 13942.1748046875 2.74 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9049 143.057708740234 73909.4765625 14.55 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9050 144.101989746094 65417.16796875 12.88 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9051 145.049468994141 14035.1279296875 2.76 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9052 152.106552124023 6772.66015625 1.33 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9053 156.065856933594 23545.328125 4.63 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9054 161.068115234375 80188.5546875 15.78 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9055 163.074829101562 3530.64184570312 0.69 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9056 164.107452392578 33111.4296875 6.52 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9057 166.049087524414 5023.00244140625 0.99 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9058 166.122802734375 5457.59716796875 1.07 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9059 168.102172851562 22264.28515625 4.38 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9060 170.117309570312 23073.28125 4.54 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9061 174.076141357422 5431.16455078125 1.07 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9062 174.112564086914 5989.57080078125 1.18 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9063 182.117980957031 15173.0595703125 2.99 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9064 184.060440063477 6674.87646484375 1.31 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9065 194.117584228516 16448.00390625 3.24 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9066 202.071670532227 4120.669921875 0.81 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9067 210.112442016602 43590.50390625 8.58 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9068 212.128082275391 145393.953125 28.62 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9069 220.082168579102 22131.724609375 4.36 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9070 230.138656616211 508058.0625 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9071 248.149200439453 51917.765625 10.22 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9072 258.133483886719 443114.375 87.22 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9073 276.143981933594 392024.59375 77.16 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9074 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9075 RECORD_TITLE: MZ:294.1543 | RT:92.9 | grpid:350 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9076 MS$FOCUSED_ION: PRECURSOR_M/Z 294.154327392578 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9077 AC$CHROMATOGRAPHY: RETENTION_TIME 92.927058 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9078 XCMS groupid (grpid): 350 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9079 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9080 PK$NUM_PEAK: 20 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9081 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9082 112.039344787598 5124.46142578125 7.47 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9083 122.517807006836 3088.34252929688 4.5 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9084 127.0390625 6232.49560546875 9.08 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9085 128.106292724609 3349.68432617188 4.88 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9086 132.102005004883 17221.03125 25.09 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9087 133.426742553711 2583.19848632812 3.76 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9088 144.101837158203 4300.341796875 6.26 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9089 156.06510925293 2784.90234375 4.06 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9090 161.068069458008 11421.27734375 16.64 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9091 165.475692749023 2766.2021484375 4.03 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9092 195.074188232422 4445.84375 6.48 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9093 210.114395141602 3170.66162109375 4.62 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9094 212.128158569336 17339.98828125 25.26 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9095 230.138610839844 68642.265625 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9096 248.149459838867 5197.986328125 7.57 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9097 258.133483886719 52082.61328125 75.88 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9098 268.423004150391 3287.80078125 4.79 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9099 276.143981933594 43785.77734375 63.79 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9100 294.142303466797 5570.93115234375 8.12 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9101 308.502807617188 3742.28930664062 5.45 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9102 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9103 RECORD_TITLE: MZ:294.1543 | RT:92.9 | grpid:350 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9104 MS$FOCUSED_ION: PRECURSOR_M/Z 294.154327392578 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9105 AC$CHROMATOGRAPHY: RETENTION_TIME 92.927058 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9106 XCMS groupid (grpid): 350 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9107 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9108 PK$NUM_PEAK: 20 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9109 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9110 112.039344787598 5124.46142578125 7.47 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9111 122.517807006836 3088.34252929688 4.5 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9112 127.0390625 6232.49560546875 9.08 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9113 128.106292724609 3349.68432617188 4.88 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9114 132.102005004883 17221.03125 25.09 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9115 133.426742553711 2583.19848632812 3.76 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9116 144.101837158203 4300.341796875 6.26 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9117 156.06510925293 2784.90234375 4.06 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9118 161.068069458008 11421.27734375 16.64 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9119 165.475692749023 2766.2021484375 4.03 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9120 195.074188232422 4445.84375 6.48 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9121 210.114395141602 3170.66162109375 4.62 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9122 212.128158569336 17339.98828125 25.26 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9123 230.138610839844 68642.265625 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9124 248.149459838867 5197.986328125 7.57 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9125 258.133483886719 52082.61328125 75.88 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9126 268.423004150391 3287.80078125 4.79 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9127 276.143981933594 43785.77734375 63.79 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9128 294.142303466797 5570.93115234375 8.12 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9129 308.502807617188 3742.28930664062 5.45 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9130 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9131 RECORD_TITLE: MZ:294.1442 | RT:127.2 | grpid:350 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9132 MS$FOCUSED_ION: PRECURSOR_M/Z 294.144195556641 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9133 AC$CHROMATOGRAPHY: RETENTION_TIME 127.214454 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9134 XCMS groupid (grpid): 350 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9135 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9136 PK$NUM_PEAK: 16 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9137 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9138 101.071395874023 30196.458984375 3.01 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9139 103.05460357666 36452.20703125 3.64 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9140 115.028816223145 2923.4765625 0.29 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9141 120.081039428711 1002720.9375 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9142 130.050003051758 433036.09375 43.19 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9143 131.048980712891 21612.560546875 2.16 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9144 147.076400756836 370422.4375 36.94 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9145 148.075744628906 3277.36889648438 0.33 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9146 165.102447509766 32359.7734375 3.23 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9147 236.737213134766 3216.35913085938 0.32 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9148 239.283920288086 3512.80200195312 0.35 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9149 242.080612182617 4410.763671875 0.44 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9150 259.107482910156 2916.66284179688 0.29 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9151 260.092193603516 4195.158203125 0.42 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9152 277.117889404297 16811.05078125 1.68 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9153 294.143859863281 18521.876953125 1.85 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9154 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9155 RECORD_TITLE: MZ:294.1442 | RT:127.2 | grpid:350 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9156 MS$FOCUSED_ION: PRECURSOR_M/Z 294.144195556641 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9157 AC$CHROMATOGRAPHY: RETENTION_TIME 127.214454 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9158 XCMS groupid (grpid): 350 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9159 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9160 PK$NUM_PEAK: 16 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9161 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9162 101.071395874023 30196.458984375 3.01 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9163 103.05460357666 36452.20703125 3.64 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9164 115.028816223145 2923.4765625 0.29 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9165 120.081039428711 1002720.9375 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9166 130.050003051758 433036.09375 43.19 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9167 131.048980712891 21612.560546875 2.16 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9168 147.076400756836 370422.4375 36.94 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9169 148.075744628906 3277.36889648438 0.33 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9170 165.102447509766 32359.7734375 3.23 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9171 236.737213134766 3216.35913085938 0.32 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9172 239.283920288086 3512.80200195312 0.35 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9173 242.080612182617 4410.763671875 0.44 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9174 259.107482910156 2916.66284179688 0.29 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9175 260.092193603516 4195.158203125 0.42 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9176 277.117889404297 16811.05078125 1.68 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9177 294.143859863281 18521.876953125 1.85 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9178 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9179 RECORD_TITLE: MZ:295.1284 | RT:76.5 | grpid:353 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9180 MS$FOCUSED_ION: PRECURSOR_M/Z 295.128387451172 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9181 AC$CHROMATOGRAPHY: RETENTION_TIME 76.520544 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9182 XCMS groupid (grpid): 353 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9183 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9184 PK$NUM_PEAK: 14 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9185 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9186 102.055305480957 141662.953125 1.78 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9187 103.047660827637 9096.5048828125 0.11 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9188 103.054672241211 264597.71875 3.33 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9189 120.08097076416 7940314 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9190 130.049926757812 186572.046875 2.35 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9191 131.049392700195 38053.90234375 0.48 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9192 138.368667602539 5218.921875 0.07 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9193 148.060348510742 534400.8125 6.73 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9194 186.091201782227 6964.56787109375 0.09 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9195 249.122787475586 20288.796875 0.26 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9196 260.092071533203 5487.70556640625 0.07 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9197 277.120513916016 6250.375 0.08 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9198 288.727630615234 5923.0712890625 0.07 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9199 295.12841796875 60264.61328125 0.76 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9200 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9201 RECORD_TITLE: MZ:295.1284 | RT:76.5 | grpid:353 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9202 MS$FOCUSED_ION: PRECURSOR_M/Z 295.128387451172 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9203 AC$CHROMATOGRAPHY: RETENTION_TIME 76.520544 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9204 XCMS groupid (grpid): 353 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9205 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9206 PK$NUM_PEAK: 14 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9207 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9208 102.055305480957 141662.953125 1.78 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9209 103.047660827637 9096.5048828125 0.11 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9210 103.054672241211 264597.71875 3.33 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9211 120.08097076416 7940314 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9212 130.049926757812 186572.046875 2.35 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9213 131.049392700195 38053.90234375 0.48 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9214 138.368667602539 5218.921875 0.07 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9215 148.060348510742 534400.8125 6.73 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9216 186.091201782227 6964.56787109375 0.09 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9217 249.122787475586 20288.796875 0.26 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9218 260.092071533203 5487.70556640625 0.07 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9219 277.120513916016 6250.375 0.08 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9220 288.727630615234 5923.0712890625 0.07 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9221 295.12841796875 60264.61328125 0.76 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9222 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9223 RECORD_TITLE: MZ:295.1283 | RT:76.7 | grpid:353 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9224 MS$FOCUSED_ION: PRECURSOR_M/Z 295.128326416016 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9225 AC$CHROMATOGRAPHY: RETENTION_TIME 76.72203 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9226 XCMS groupid (grpid): 353 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9227 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9228 PK$NUM_PEAK: 12 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9229 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9230 102.055358886719 142350.5625 1.73 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9231 103.047714233398 7654.904296875 0.09 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9232 103.054664611816 271591.96875 3.3 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9233 120.080993652344 8218329 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9234 130.049957275391 210526.734375 2.56 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9235 131.049209594727 34446.6640625 0.42 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9236 148.060363769531 533971.5625 6.5 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9237 148.891082763672 5547.021484375 0.07 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9238 177.852951049805 5688.75244140625 0.07 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9239 249.123413085938 14290.17578125 0.17 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9240 256.870849609375 6559.6240234375 0.08 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9241 295.129028320312 57312.61328125 0.7 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9242 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9243 RECORD_TITLE: MZ:295.1283 | RT:76.7 | grpid:353 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9244 MS$FOCUSED_ION: PRECURSOR_M/Z 295.128326416016 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9245 AC$CHROMATOGRAPHY: RETENTION_TIME 76.72203 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9246 XCMS groupid (grpid): 353 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9247 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9248 PK$NUM_PEAK: 12 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9249 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9250 102.055358886719 142350.5625 1.73 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9251 103.047714233398 7654.904296875 0.09 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9252 103.054664611816 271591.96875 3.3 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9253 120.080993652344 8218329 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9254 130.049957275391 210526.734375 2.56 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9255 131.049209594727 34446.6640625 0.42 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9256 148.060363769531 533971.5625 6.5 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9257 148.891082763672 5547.021484375 0.07 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9258 177.852951049805 5688.75244140625 0.07 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9259 249.123413085938 14290.17578125 0.17 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9260 256.870849609375 6559.6240234375 0.08 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9261 295.129028320312 57312.61328125 0.7 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9262 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9263 RECORD_TITLE: MZ:296.0658 | RT:42.4 | grpid:354 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9264 MS$FOCUSED_ION: PRECURSOR_M/Z 296.065826416016 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9265 AC$CHROMATOGRAPHY: RETENTION_TIME 42.4292958 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9266 XCMS groupid (grpid): 354 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9267 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9268 PK$NUM_PEAK: 28 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9269 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9270 104.107414245605 113404.828125 96.9 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9271 115.257781982422 2642.28344726562 2.26 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9272 118.906105041504 2871.60009765625 2.45 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9273 120.003547668457 6084.94970703125 5.2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9274 123.053253173828 3333.92529296875 2.85 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9275 124.03678894043 3061.91870117188 2.62 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9276 130.049224853516 2935.35913085938 2.51 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9277 134.018844604492 117029.3671875 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9278 151.047866821289 28315.765625 24.2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9279 151.084808349609 5592.81689453125 4.78 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9280 152.031631469727 37479.58203125 32.03 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9281 164.930252075195 31731.31640625 27.11 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9282 169.058502197266 35980.2578125 30.74 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9283 169.094802856445 6438.44775390625 5.5 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9284 169.885345458984 2605.5 2.23 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9285 170.042297363281 3210.34887695312 2.74 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9286 178.946014404297 3806.83520507812 3.25 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9287 180.001739501953 3170.61328125 2.71 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9288 180.903701782227 14680.2548828125 12.54 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9289 191.078903198242 3137.82885742188 2.68 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9290 229.981872558594 2980.67016601562 2.55 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9291 238.989120483398 22953.4921875 19.61 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9292 253.079711914062 4649.15576171875 3.97 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9293 263.061492919922 3608.7255859375 3.08 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9294 280.090270996094 10559.1611328125 9.02 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9295 281.073272705078 3693.57568359375 3.16 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9296 298.067657470703 6471.38916015625 5.53 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9297 298.096527099609 23370.763671875 19.97 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9298 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9299 RECORD_TITLE: MZ:296.0658 | RT:42.4 | grpid:354 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9300 MS$FOCUSED_ION: PRECURSOR_M/Z 296.065826416016 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9301 AC$CHROMATOGRAPHY: RETENTION_TIME 42.4292958 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9302 XCMS groupid (grpid): 354 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9303 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9304 PK$NUM_PEAK: 28 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9305 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9306 104.107414245605 113404.828125 96.9 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9307 115.257781982422 2642.28344726562 2.26 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9308 118.906105041504 2871.60009765625 2.45 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9309 120.003547668457 6084.94970703125 5.2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9310 123.053253173828 3333.92529296875 2.85 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9311 124.03678894043 3061.91870117188 2.62 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9312 130.049224853516 2935.35913085938 2.51 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9313 134.018844604492 117029.3671875 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9314 151.047866821289 28315.765625 24.2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9315 151.084808349609 5592.81689453125 4.78 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9316 152.031631469727 37479.58203125 32.03 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9317 164.930252075195 31731.31640625 27.11 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9318 169.058502197266 35980.2578125 30.74 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9319 169.094802856445 6438.44775390625 5.5 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9320 169.885345458984 2605.5 2.23 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9321 170.042297363281 3210.34887695312 2.74 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9322 178.946014404297 3806.83520507812 3.25 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9323 180.001739501953 3170.61328125 2.71 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9324 180.903701782227 14680.2548828125 12.54 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9325 191.078903198242 3137.82885742188 2.68 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9326 229.981872558594 2980.67016601562 2.55 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9327 238.989120483398 22953.4921875 19.61 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9328 253.079711914062 4649.15576171875 3.97 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9329 263.061492919922 3608.7255859375 3.08 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9330 280.090270996094 10559.1611328125 9.02 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9331 281.073272705078 3693.57568359375 3.16 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9332 298.067657470703 6471.38916015625 5.53 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9333 298.096527099609 23370.763671875 19.97 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9334 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9335 RECORD_TITLE: MZ:296.0656 | RT:42.4 | grpid:354 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9336 MS$FOCUSED_ION: PRECURSOR_M/Z 296.065551757812 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9337 AC$CHROMATOGRAPHY: RETENTION_TIME 42.4292958 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9338 XCMS groupid (grpid): 354 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9339 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9340 PK$NUM_PEAK: 17 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9341 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9342 104.107582092285 12656.6298828125 16.59 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9343 110.071670532227 76296.015625 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9344 128.03190612793 11512.23828125 15.09 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9345 133.762710571289 3047.94458007812 3.99 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9346 136.075790405273 21574.76171875 28.28 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9347 136.085235595703 3742.28735351562 4.9 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9348 137.079330444336 24230.166015625 31.76 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9349 156.077331542969 11290.4443359375 14.8 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9350 170.32341003418 2779.20581054688 3.64 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9351 177.031875610352 2798.62231445312 3.67 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9352 181.108383178711 12241.56640625 16.04 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9353 196.959823608398 2773.84155273438 3.64 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9354 209.103637695312 5807.6396484375 7.61 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9355 211.106033325195 3517.22680664062 4.61 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9356 274.146240234375 3613.0380859375 4.74 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9357 280.127960205078 4497.24267578125 5.89 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9358 298.135314941406 24276.166015625 31.82 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9359 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9360 RECORD_TITLE: MZ:296.0656 | RT:42.4 | grpid:354 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9361 MS$FOCUSED_ION: PRECURSOR_M/Z 296.065551757812 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9362 AC$CHROMATOGRAPHY: RETENTION_TIME 42.4292958 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9363 XCMS groupid (grpid): 354 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9364 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9365 PK$NUM_PEAK: 17 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9366 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9367 104.107582092285 12656.6298828125 16.59 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9368 110.071670532227 76296.015625 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9369 128.03190612793 11512.23828125 15.09 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9370 133.762710571289 3047.94458007812 3.99 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9371 136.075790405273 21574.76171875 28.28 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9372 136.085235595703 3742.28735351562 4.9 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9373 137.079330444336 24230.166015625 31.76 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9374 156.077331542969 11290.4443359375 14.8 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9375 170.32341003418 2779.20581054688 3.64 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9376 177.031875610352 2798.62231445312 3.67 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9377 181.108383178711 12241.56640625 16.04 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9378 196.959823608398 2773.84155273438 3.64 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9379 209.103637695312 5807.6396484375 7.61 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9380 211.106033325195 3517.22680664062 4.61 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9381 274.146240234375 3613.0380859375 4.74 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9382 280.127960205078 4497.24267578125 5.89 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9383 298.135314941406 24276.166015625 31.82 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9384 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9385 RECORD_TITLE: MZ:296.0658 | RT:43.3 | grpid:354 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9386 MS$FOCUSED_ION: PRECURSOR_M/Z 296.065826416016 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9387 AC$CHROMATOGRAPHY: RETENTION_TIME 43.3414116 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9388 XCMS groupid (grpid): 354 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9389 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9390 PK$NUM_PEAK: 25 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9391 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9392 102.501098632812 2634.53149414062 2.76 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9393 104.107406616211 78233.4765625 82 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9394 104.779418945312 2619.09838867188 2.75 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9395 120.003631591797 12038.4755859375 12.62 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9396 123.053741455078 3649.71142578125 3.83 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9397 124.959274291992 3187.64526367188 3.34 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9398 134.018905639648 95404.9453125 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9399 151.04768371582 45033.75 47.2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9400 151.083587646484 11767.1416015625 12.33 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9401 152.031875610352 34158.91796875 35.8 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9402 164.930053710938 26157.40234375 27.42 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9403 168.170883178711 2864.22802734375 3 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9404 169.058334350586 41951.765625 43.97 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9405 169.094284057617 5771.51220703125 6.05 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9406 180.001739501953 3173.91796875 3.33 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9407 180.904067993164 15171.927734375 15.9 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9408 233.934051513672 3479.39086914062 3.65 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9409 235.103302001953 3239.46142578125 3.4 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9410 238.991271972656 14557.9658203125 15.26 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9411 253.078491210938 6074.93798828125 6.37 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9412 280.08935546875 5121.08447265625 5.37 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9413 281.074127197266 13575.4345703125 14.23 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9414 298.067443847656 8395.75 8.8 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9415 298.100677490234 33910.890625 35.54 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9416 298.133453369141 5547.06982421875 5.81 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9417 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9418 RECORD_TITLE: MZ:296.0658 | RT:43.3 | grpid:354 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9419 MS$FOCUSED_ION: PRECURSOR_M/Z 296.065826416016 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9420 AC$CHROMATOGRAPHY: RETENTION_TIME 43.3414116 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9421 XCMS groupid (grpid): 354 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9422 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9423 PK$NUM_PEAK: 25 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9424 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9425 102.501098632812 2634.53149414062 2.76 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9426 104.107406616211 78233.4765625 82 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9427 104.779418945312 2619.09838867188 2.75 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9428 120.003631591797 12038.4755859375 12.62 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9429 123.053741455078 3649.71142578125 3.83 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9430 124.959274291992 3187.64526367188 3.34 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9431 134.018905639648 95404.9453125 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9432 151.04768371582 45033.75 47.2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9433 151.083587646484 11767.1416015625 12.33 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9434 152.031875610352 34158.91796875 35.8 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9435 164.930053710938 26157.40234375 27.42 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9436 168.170883178711 2864.22802734375 3 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9437 169.058334350586 41951.765625 43.97 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9438 169.094284057617 5771.51220703125 6.05 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9439 180.001739501953 3173.91796875 3.33 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9440 180.904067993164 15171.927734375 15.9 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9441 233.934051513672 3479.39086914062 3.65 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9442 235.103302001953 3239.46142578125 3.4 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9443 238.991271972656 14557.9658203125 15.26 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9444 253.078491210938 6074.93798828125 6.37 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9445 280.08935546875 5121.08447265625 5.37 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9446 281.074127197266 13575.4345703125 14.23 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9447 298.067443847656 8395.75 8.8 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9448 298.100677490234 33910.890625 35.54 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9449 298.133453369141 5547.06982421875 5.81 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9450 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9451 RECORD_TITLE: MZ:296.0656 | RT:43.3 | grpid:354 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9452 MS$FOCUSED_ION: PRECURSOR_M/Z 296.065582275391 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9453 AC$CHROMATOGRAPHY: RETENTION_TIME 43.3414116 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9454 XCMS groupid (grpid): 354 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9455 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9456 PK$NUM_PEAK: 12 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9457 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9458 103.752471923828 3372.3203125 1.13 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9459 104.107315063477 3889.2138671875 1.31 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9460 105.110206604004 4535.83447265625 1.52 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9461 110.07152557373 26736.4453125 8.97 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9462 116.04727935791 24896.80078125 8.35 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9463 119.049240112305 42550.78515625 14.28 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9464 121.065811157227 4205.6630859375 1.41 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9465 136.075759887695 298005.65625 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9466 160.036758422852 33066.51953125 11.1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9467 197.080413818359 3280.55688476562 1.1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9468 229.070083618164 5290.5830078125 1.78 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9469 297.119445800781 5748.119140625 1.93 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9470 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9471 RECORD_TITLE: MZ:296.0656 | RT:43.3 | grpid:354 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9472 MS$FOCUSED_ION: PRECURSOR_M/Z 296.065582275391 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9473 AC$CHROMATOGRAPHY: RETENTION_TIME 43.3414116 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9474 XCMS groupid (grpid): 354 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9475 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9476 PK$NUM_PEAK: 12 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9477 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9478 103.752471923828 3372.3203125 1.13 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9479 104.107315063477 3889.2138671875 1.31 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9480 105.110206604004 4535.83447265625 1.52 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9481 110.07152557373 26736.4453125 8.97 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9482 116.04727935791 24896.80078125 8.35 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9483 119.049240112305 42550.78515625 14.28 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9484 121.065811157227 4205.6630859375 1.41 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9485 136.075759887695 298005.65625 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9486 160.036758422852 33066.51953125 11.1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9487 197.080413818359 3280.55688476562 1.1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9488 229.070083618164 5290.5830078125 1.78 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9489 297.119445800781 5748.119140625 1.93 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9490 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9491 RECORD_TITLE: MZ:302.1707 | RT:88.9 | grpid:369 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9492 MS$FOCUSED_ION: PRECURSOR_M/Z 302.170684814453 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9493 AC$CHROMATOGRAPHY: RETENTION_TIME 88.866054 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9494 XCMS groupid (grpid): 369 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9495 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9496 PK$NUM_PEAK: 12 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9497 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9498 111.092300415039 3345.74462890625 0.99 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9499 114.091567993164 2964.439453125 0.88 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9500 116.070907592773 338258.5 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9501 159.112579345703 52160.83984375 15.42 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9502 161.510787963867 2920.07788085938 0.86 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9503 167.082427978516 3902.92211914062 1.15 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9504 171.076644897461 5985.89404296875 1.77 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9505 185.092422485352 12815.69921875 3.79 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9506 187.107772827148 19796.359375 5.85 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9507 203.102493286133 107000.6796875 31.63 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9508 213.087478637695 12012.677734375 3.55 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9509 269.900512695312 3120.37036132812 0.92 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9510 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9511 RECORD_TITLE: MZ:302.1707 | RT:88.9 | grpid:369 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9512 MS$FOCUSED_ION: PRECURSOR_M/Z 302.170684814453 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9513 AC$CHROMATOGRAPHY: RETENTION_TIME 88.866054 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9514 XCMS groupid (grpid): 369 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9515 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9516 PK$NUM_PEAK: 12 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9517 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9518 111.092300415039 3345.74462890625 0.99 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9519 114.091567993164 2964.439453125 0.88 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9520 116.070907592773 338258.5 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9521 159.112579345703 52160.83984375 15.42 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9522 161.510787963867 2920.07788085938 0.86 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9523 167.082427978516 3902.92211914062 1.15 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9524 171.076644897461 5985.89404296875 1.77 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9525 185.092422485352 12815.69921875 3.79 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9526 187.107772827148 19796.359375 5.85 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9527 203.102493286133 107000.6796875 31.63 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9528 213.087478637695 12012.677734375 3.55 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9529 269.900512695312 3120.37036132812 0.92 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9530 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9531 RECORD_TITLE: MZ:302.1707 | RT:88.9 | grpid:369 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9532 MS$FOCUSED_ION: PRECURSOR_M/Z 302.170715332031 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9533 AC$CHROMATOGRAPHY: RETENTION_TIME 88.866054 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9534 XCMS groupid (grpid): 369 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9535 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9536 PK$NUM_PEAK: 15 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9537 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9538 111.091789245605 4032.9169921875 1.2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9539 116.070877075195 335223.84375 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9540 144.715606689453 2890.23486328125 0.86 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9541 146.728607177734 3216.869140625 0.96 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9542 157.096328735352 2906.3671875 0.87 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9543 159.112747192383 53204.73046875 15.87 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9544 167.081085205078 4721.88037109375 1.41 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9545 185.092727661133 6107.53857421875 1.82 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9546 185.409088134766 2896.890625 0.86 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9547 187.107727050781 18806.53515625 5.61 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9548 188.189697265625 3081.72094726562 0.92 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9549 189.086227416992 25625.54296875 7.64 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9550 203.102386474609 84135.125 25.1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9551 213.08723449707 7243.43408203125 2.16 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9552 284.158935546875 3037.86303710938 0.91 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9553 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9554 RECORD_TITLE: MZ:302.1707 | RT:88.9 | grpid:369 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9555 MS$FOCUSED_ION: PRECURSOR_M/Z 302.170715332031 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9556 AC$CHROMATOGRAPHY: RETENTION_TIME 88.866054 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9557 XCMS groupid (grpid): 369 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9558 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9559 PK$NUM_PEAK: 15 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9560 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9561 111.091789245605 4032.9169921875 1.2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9562 116.070877075195 335223.84375 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9563 144.715606689453 2890.23486328125 0.86 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9564 146.728607177734 3216.869140625 0.96 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9565 157.096328735352 2906.3671875 0.87 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9566 159.112747192383 53204.73046875 15.87 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9567 167.081085205078 4721.88037109375 1.41 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9568 185.092727661133 6107.53857421875 1.82 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9569 185.409088134766 2896.890625 0.86 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9570 187.107727050781 18806.53515625 5.61 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9571 188.189697265625 3081.72094726562 0.92 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9572 189.086227416992 25625.54296875 7.64 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9573 203.102386474609 84135.125 25.1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9574 213.08723449707 7243.43408203125 2.16 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9575 284.158935546875 3037.86303710938 0.91 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9576 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9577 RECORD_TITLE: MZ:302.1706 | RT:89.1 | grpid:369 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9578 MS$FOCUSED_ION: PRECURSOR_M/Z 302.170593261719 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9579 AC$CHROMATOGRAPHY: RETENTION_TIME 89.058666 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9580 XCMS groupid (grpid): 369 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9581 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9582 PK$NUM_PEAK: 11 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9583 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9584 111.537490844727 2589.2255859375 0.65 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9585 116.070930480957 399363.4375 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9586 120.955596923828 2879.787109375 0.72 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9587 128.070510864258 3172.29931640625 0.79 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9588 159.112930297852 57991.0546875 14.52 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9589 167.08186340332 4477.3642578125 1.12 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9590 171.076034545898 2725.41967773438 0.68 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9591 185.092102050781 5634.4248046875 1.41 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9592 187.108093261719 27319.478515625 6.84 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9593 203.102722167969 98053.7265625 24.55 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9594 213.085845947266 4722.02392578125 1.18 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9595 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9596 RECORD_TITLE: MZ:302.1706 | RT:89.1 | grpid:369 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9597 MS$FOCUSED_ION: PRECURSOR_M/Z 302.170593261719 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9598 AC$CHROMATOGRAPHY: RETENTION_TIME 89.058666 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9599 XCMS groupid (grpid): 369 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9600 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9601 PK$NUM_PEAK: 11 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9602 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9603 111.537490844727 2589.2255859375 0.65 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9604 116.070930480957 399363.4375 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9605 120.955596923828 2879.787109375 0.72 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9606 128.070510864258 3172.29931640625 0.79 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9607 159.112930297852 57991.0546875 14.52 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9608 167.08186340332 4477.3642578125 1.12 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9609 171.076034545898 2725.41967773438 0.68 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9610 185.092102050781 5634.4248046875 1.41 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9611 187.108093261719 27319.478515625 6.84 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9612 203.102722167969 98053.7265625 24.55 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9613 213.085845947266 4722.02392578125 1.18 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9614 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9615 RECORD_TITLE: MZ:302.1707 | RT:89.1 | grpid:369 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9616 MS$FOCUSED_ION: PRECURSOR_M/Z 302.170745849609 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9617 AC$CHROMATOGRAPHY: RETENTION_TIME 89.058666 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9618 XCMS groupid (grpid): 369 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9619 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9620 PK$NUM_PEAK: 15 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9621 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9622 106.602005004883 2616.6298828125 1.08 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9623 107.888076782227 2649.7861328125 1.09 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9624 116.070938110352 242279.421875 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9625 123.994163513184 2919.2646484375 1.2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9626 144.969955444336 3509.31982421875 1.45 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9627 159.112731933594 39509.015625 16.31 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9628 163.092956542969 2640.06762695312 1.09 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9629 167.081405639648 2648.91552734375 1.09 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9630 185.092712402344 10590.4658203125 4.37 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9631 187.108139038086 16131.1796875 6.66 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9632 189.086410522461 20154.86328125 8.32 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9633 203.102783203125 69475.5 28.68 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9634 207.951904296875 2900.83618164062 1.2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9635 213.087280273438 3746.56909179688 1.55 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9636 218.32536315918 3366.72143554688 1.39 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9637 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9638 RECORD_TITLE: MZ:302.1707 | RT:89.1 | grpid:369 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9639 MS$FOCUSED_ION: PRECURSOR_M/Z 302.170745849609 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9640 AC$CHROMATOGRAPHY: RETENTION_TIME 89.058666 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9641 XCMS groupid (grpid): 369 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9642 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9643 PK$NUM_PEAK: 15 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9644 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9645 106.602005004883 2616.6298828125 1.08 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9646 107.888076782227 2649.7861328125 1.09 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9647 116.070938110352 242279.421875 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9648 123.994163513184 2919.2646484375 1.2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9649 144.969955444336 3509.31982421875 1.45 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9650 159.112731933594 39509.015625 16.31 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9651 163.092956542969 2640.06762695312 1.09 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9652 167.081405639648 2648.91552734375 1.09 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9653 185.092712402344 10590.4658203125 4.37 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9654 187.108139038086 16131.1796875 6.66 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9655 189.086410522461 20154.86328125 8.32 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9656 203.102783203125 69475.5 28.68 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9657 207.951904296875 2900.83618164062 1.2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9658 213.087280273438 3746.56909179688 1.55 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9659 218.32536315918 3366.72143554688 1.39 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9660 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9661 RECORD_TITLE: MZ:303.1658 | RT:61.4 | grpid:373 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9662 MS$FOCUSED_ION: PRECURSOR_M/Z 303.165832519531 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9663 AC$CHROMATOGRAPHY: RETENTION_TIME 61.39704 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9664 XCMS groupid (grpid): 373 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9665 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9666 PK$NUM_PEAK: 45 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9667 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9668 101.071495056152 17276.505859375 15.08 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9669 102.055053710938 4332.97802734375 3.78 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9670 110.024024963379 81759.390625 71.36 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9671 113.107894897461 2976.39038085938 2.6 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9672 124.039588928223 5228.74755859375 4.56 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9673 127.050140380859 4493.58642578125 3.92 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9674 129.066146850586 4715.2890625 4.12 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9675 129.102722167969 12039.0185546875 10.51 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9676 130.050018310547 114568.8828125 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9677 131.045211791992 20917.966796875 18.26 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9678 131.117706298828 5351.33544921875 4.67 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9679 138.018890380859 4971.95068359375 4.34 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9680 138.091522216797 13621.6669921875 11.89 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9681 141.065841674805 13160.8203125 11.49 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9682 141.102478027344 16366.97265625 14.29 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9683 145.05989074707 3522.09521484375 3.07 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9684 147.07633972168 64195.5078125 56.03 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9685 152.03401184082 4655.56005859375 4.06 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9686 152.071136474609 4296.41552734375 3.75 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9687 155.04541015625 3915.62890625 3.42 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9688 155.117568969727 3497.94213867188 3.05 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9689 156.029052734375 95058.7421875 82.97 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9690 156.040878295898 5310.615234375 4.64 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9691 157.097412109375 6664.33056640625 5.82 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9692 158.092910766602 2864.17456054688 2.5 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9693 169.061050415039 6040.8154296875 5.27 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9694 170.044723510742 59939.75 52.32 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9695 172.071823120117 14756.267578125 12.88 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9696 173.055633544922 94156.171875 82.18 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9697 180.238861083984 3058.84375 2.67 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9698 182.129089355469 4343.21923828125 3.79 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9699 183.112991333008 38053.1640625 33.21 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9700 186.087554931641 6614.74169921875 5.77 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9701 187.071060180664 55252.01171875 48.23 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9702 190.082153320312 77407.0625 67.56 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9703 198.078338623047 3355.89111328125 2.93 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9704 199.10774230957 6823.1240234375 5.96 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9705 200.139297485352 6599.74755859375 5.76 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9706 204.097793579102 66165.609375 57.75 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9707 211.108001708984 16332.0712890625 14.26 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9708 224.081451416016 4773.82568359375 4.17 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9709 228.134613037109 17541.95703125 15.31 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9710 241.117919921875 5677.2734375 4.96 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9711 258.145751953125 11240.6552734375 9.81 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9712 261.076507568359 6831.46142578125 5.96 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9713 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9714 RECORD_TITLE: MZ:303.1658 | RT:61.4 | grpid:373 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9715 MS$FOCUSED_ION: PRECURSOR_M/Z 303.165832519531 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9716 AC$CHROMATOGRAPHY: RETENTION_TIME 61.39704 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9717 XCMS groupid (grpid): 373 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9718 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9719 PK$NUM_PEAK: 45 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9720 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9721 101.071495056152 17276.505859375 15.08 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9722 102.055053710938 4332.97802734375 3.78 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9723 110.024024963379 81759.390625 71.36 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9724 113.107894897461 2976.39038085938 2.6 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9725 124.039588928223 5228.74755859375 4.56 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9726 127.050140380859 4493.58642578125 3.92 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9727 129.066146850586 4715.2890625 4.12 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9728 129.102722167969 12039.0185546875 10.51 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9729 130.050018310547 114568.8828125 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9730 131.045211791992 20917.966796875 18.26 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9731 131.117706298828 5351.33544921875 4.67 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9732 138.018890380859 4971.95068359375 4.34 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9733 138.091522216797 13621.6669921875 11.89 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9734 141.065841674805 13160.8203125 11.49 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9735 141.102478027344 16366.97265625 14.29 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9736 145.05989074707 3522.09521484375 3.07 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9737 147.07633972168 64195.5078125 56.03 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9738 152.03401184082 4655.56005859375 4.06 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9739 152.071136474609 4296.41552734375 3.75 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9740 155.04541015625 3915.62890625 3.42 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9741 155.117568969727 3497.94213867188 3.05 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9742 156.029052734375 95058.7421875 82.97 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9743 156.040878295898 5310.615234375 4.64 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9744 157.097412109375 6664.33056640625 5.82 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9745 158.092910766602 2864.17456054688 2.5 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9746 169.061050415039 6040.8154296875 5.27 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9747 170.044723510742 59939.75 52.32 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9748 172.071823120117 14756.267578125 12.88 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9749 173.055633544922 94156.171875 82.18 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9750 180.238861083984 3058.84375 2.67 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9751 182.129089355469 4343.21923828125 3.79 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9752 183.112991333008 38053.1640625 33.21 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9753 186.087554931641 6614.74169921875 5.77 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9754 187.071060180664 55252.01171875 48.23 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9755 190.082153320312 77407.0625 67.56 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9756 198.078338623047 3355.89111328125 2.93 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9757 199.10774230957 6823.1240234375 5.96 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9758 200.139297485352 6599.74755859375 5.76 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9759 204.097793579102 66165.609375 57.75 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9760 211.108001708984 16332.0712890625 14.26 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9761 224.081451416016 4773.82568359375 4.17 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9762 228.134613037109 17541.95703125 15.31 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9763 241.117919921875 5677.2734375 4.96 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9764 258.145751953125 11240.6552734375 9.81 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9765 261.076507568359 6831.46142578125 5.96 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9766 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9767 RECORD_TITLE: MZ:303.1658 | RT:61.4 | grpid:373 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9768 MS$FOCUSED_ION: PRECURSOR_M/Z 303.165802001953 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9769 AC$CHROMATOGRAPHY: RETENTION_TIME 61.39704 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9770 XCMS groupid (grpid): 373 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9771 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9772 PK$NUM_PEAK: 43 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9773 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9774 101.071464538574 18367.666015625 14.33 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9775 110.024108886719 13310.111328125 10.38 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9776 113.071151733398 16702.12890625 13.03 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9777 113.161529541016 2648.88256835938 2.07 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9778 115.050575256348 5107.8056640625 3.98 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9779 116.071304321289 2816.13061523438 2.2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9780 118.086700439453 33100.30078125 25.82 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9781 124.039344787598 21477.953125 16.76 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9782 124.075965881348 7333.05419921875 5.72 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9783 127.086776733398 54203.52734375 42.29 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9784 129.102584838867 12142.318359375 9.47 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9785 133.023803710938 3002.11206054688 2.34 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9786 138.091400146484 15838.521484375 12.36 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9787 140.08203125 14969.40234375 11.68 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9788 141.056686401367 3076.06030273438 2.4 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9789 141.065719604492 26157.06640625 20.41 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9790 141.102096557617 53816.90234375 41.98 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9791 143.1181640625 3417.8017578125 2.67 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9792 152.070373535156 20424.6953125 15.93 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9793 153.474487304688 2844.90942382812 2.22 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9794 155.118179321289 11238.673828125 8.77 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9795 158.092330932617 34016.0859375 26.54 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9796 168.076934814453 19587.78515625 15.28 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9797 169.060928344727 6712.3115234375 5.24 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9798 169.097106933594 42549.7109375 33.19 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9799 171.112716674805 4113.38818359375 3.21 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9800 175.108016967773 13872.77734375 10.82 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9801 182.129089355469 78670.0703125 61.37 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9802 183.113021850586 117829.09375 91.92 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9803 186.087295532227 12032.458984375 9.39 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9804 186.123550415039 128183.890625 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9805 189.123977661133 6138.59228515625 4.79 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9806 199.107192993164 13898.8974609375 10.84 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9807 200.139785766602 15480.9384765625 12.08 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9808 210.124496459961 7106.892578125 5.54 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9809 211.108840942383 13279.701171875 10.36 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9810 214.119567871094 4215.654296875 3.29 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9811 223.107803344727 20013.376953125 15.61 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9812 227.10319519043 5454.65087890625 4.26 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9813 249.111709594727 3236.0263671875 2.52 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9814 269.112640380859 21471.349609375 16.75 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9815 285.155151367188 33509.90625 26.14 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9816 293.368133544922 3520.171875 2.75 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9817 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9818 RECORD_TITLE: MZ:303.1658 | RT:61.4 | grpid:373 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9819 MS$FOCUSED_ION: PRECURSOR_M/Z 303.165802001953 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9820 AC$CHROMATOGRAPHY: RETENTION_TIME 61.39704 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9821 XCMS groupid (grpid): 373 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9822 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9823 PK$NUM_PEAK: 43 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9824 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9825 101.071464538574 18367.666015625 14.33 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9826 110.024108886719 13310.111328125 10.38 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9827 113.071151733398 16702.12890625 13.03 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9828 113.161529541016 2648.88256835938 2.07 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9829 115.050575256348 5107.8056640625 3.98 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9830 116.071304321289 2816.13061523438 2.2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9831 118.086700439453 33100.30078125 25.82 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9832 124.039344787598 21477.953125 16.76 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9833 124.075965881348 7333.05419921875 5.72 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9834 127.086776733398 54203.52734375 42.29 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9835 129.102584838867 12142.318359375 9.47 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9836 133.023803710938 3002.11206054688 2.34 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9837 138.091400146484 15838.521484375 12.36 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9838 140.08203125 14969.40234375 11.68 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9839 141.056686401367 3076.06030273438 2.4 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9840 141.065719604492 26157.06640625 20.41 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9841 141.102096557617 53816.90234375 41.98 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9842 143.1181640625 3417.8017578125 2.67 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9843 152.070373535156 20424.6953125 15.93 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9844 153.474487304688 2844.90942382812 2.22 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9845 155.118179321289 11238.673828125 8.77 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9846 158.092330932617 34016.0859375 26.54 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9847 168.076934814453 19587.78515625 15.28 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9848 169.060928344727 6712.3115234375 5.24 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9849 169.097106933594 42549.7109375 33.19 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9850 171.112716674805 4113.38818359375 3.21 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9851 175.108016967773 13872.77734375 10.82 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9852 182.129089355469 78670.0703125 61.37 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9853 183.113021850586 117829.09375 91.92 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9854 186.087295532227 12032.458984375 9.39 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9855 186.123550415039 128183.890625 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9856 189.123977661133 6138.59228515625 4.79 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9857 199.107192993164 13898.8974609375 10.84 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9858 200.139785766602 15480.9384765625 12.08 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9859 210.124496459961 7106.892578125 5.54 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9860 211.108840942383 13279.701171875 10.36 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9861 214.119567871094 4215.654296875 3.29 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9862 223.107803344727 20013.376953125 15.61 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9863 227.10319519043 5454.65087890625 4.26 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9864 249.111709594727 3236.0263671875 2.52 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9865 269.112640380859 21471.349609375 16.75 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9866 285.155151367188 33509.90625 26.14 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9867 293.368133544922 3520.171875 2.75 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9868 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9869 RECORD_TITLE: MZ:303.0948 | RT:105.5 | grpid:373 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9870 MS$FOCUSED_ION: PRECURSOR_M/Z 303.094818115234 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9871 AC$CHROMATOGRAPHY: RETENTION_TIME 105.491046 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9872 XCMS groupid (grpid): 373 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9873 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9874 PK$NUM_PEAK: 20 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9875 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9876 110.024101257324 4604.99267578125 1.29 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9877 110.07202911377 3307.8427734375 0.92 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9878 116.034477233887 19055.865234375 5.32 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9879 127.050285339355 7118.84375 1.99 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9880 133.060852050781 331211.375 92.43 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9881 142.062789916992 14160.0458984375 3.95 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9882 143.117950439453 358323.28125 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9883 155.044998168945 6660.64794921875 1.86 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9884 156.026748657227 133477.0625 37.25 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9885 171.11262512207 34712.3984375 9.69 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9886 188.06819152832 29936.05859375 8.35 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9887 204.06315612793 17424.74609375 4.86 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9888 223.108306884766 5881.2578125 1.64 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9889 233.237411499023 3240.14697265625 0.9 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9890 240.134765625 3662.93994140625 1.02 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9891 246.145904541016 3731.08740234375 1.04 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9892 266.815307617188 3664.97534179688 1.02 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9893 300.143127441406 3281.59790039062 0.92 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9894 303.095092773438 61232.3671875 17.09 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9895 303.130859375 14230.2265625 3.97 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9896 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9897 RECORD_TITLE: MZ:303.0948 | RT:105.5 | grpid:373 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9898 MS$FOCUSED_ION: PRECURSOR_M/Z 303.094818115234 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9899 AC$CHROMATOGRAPHY: RETENTION_TIME 105.491046 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9900 XCMS groupid (grpid): 373 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9901 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9902 PK$NUM_PEAK: 20 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9903 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9904 110.024101257324 4604.99267578125 1.29 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9905 110.07202911377 3307.8427734375 0.92 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9906 116.034477233887 19055.865234375 5.32 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9907 127.050285339355 7118.84375 1.99 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9908 133.060852050781 331211.375 92.43 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9909 142.062789916992 14160.0458984375 3.95 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9910 143.117950439453 358323.28125 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9911 155.044998168945 6660.64794921875 1.86 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9912 156.026748657227 133477.0625 37.25 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9913 171.11262512207 34712.3984375 9.69 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9914 188.06819152832 29936.05859375 8.35 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9915 204.06315612793 17424.74609375 4.86 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9916 223.108306884766 5881.2578125 1.64 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9917 233.237411499023 3240.14697265625 0.9 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9918 240.134765625 3662.93994140625 1.02 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9919 246.145904541016 3731.08740234375 1.04 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9920 266.815307617188 3664.97534179688 1.02 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9921 300.143127441406 3281.59790039062 0.92 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9922 303.095092773438 61232.3671875 17.09 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9923 303.130859375 14230.2265625 3.97 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9924 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9925 RECORD_TITLE: MZ:303.0948 | RT:105.5 | grpid:373 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9926 MS$FOCUSED_ION: PRECURSOR_M/Z 303.094818115234 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9927 AC$CHROMATOGRAPHY: RETENTION_TIME 105.491046 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9928 XCMS groupid (grpid): 373 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9929 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9930 PK$NUM_PEAK: 26 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9931 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9932 110.023574829102 11016.3857421875 2.99 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9933 110.071388244629 3747.73095703125 1.02 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9934 116.03441619873 21938.626953125 5.96 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9935 118.376136779785 2806.47827148438 0.76 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9936 123.772552490234 2964.31640625 0.8 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9937 127.050338745117 7293.83837890625 1.98 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9938 133.060852050781 290731.1875 78.92 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9939 142.062759399414 12910.2421875 3.5 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9940 143.117919921875 368379.6875 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9941 144.076751708984 4025.7939453125 1.09 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9942 155.045227050781 18109.939453125 4.92 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9943 156.026641845703 114185.203125 31 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9944 171.113159179688 19947.521484375 5.41 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9945 172.071929931641 5298.69873046875 1.44 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9946 188.068435668945 35821.4296875 9.72 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9947 189.123565673828 3595.55395507812 0.98 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9948 204.063095092773 19359.33203125 5.26 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9949 208.456588745117 3086.19995117188 0.84 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9950 223.107849121094 15110.73828125 4.1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9951 223.662109375 3248.54150390625 0.88 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9952 224.804077148438 2972.18481445312 0.81 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9953 227.103210449219 3639.86059570312 0.99 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9954 240.131469726562 3783.43115234375 1.03 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9955 246.144180297852 3886.61254882812 1.06 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9956 303.094879150391 68342.453125 18.55 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9957 303.131011962891 13898.3095703125 3.77 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9958 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9959 RECORD_TITLE: MZ:303.0948 | RT:105.5 | grpid:373 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9960 MS$FOCUSED_ION: PRECURSOR_M/Z 303.094818115234 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9961 AC$CHROMATOGRAPHY: RETENTION_TIME 105.491046 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9962 XCMS groupid (grpid): 373 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9963 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9964 PK$NUM_PEAK: 26 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9965 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9966 110.023574829102 11016.3857421875 2.99 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9967 110.071388244629 3747.73095703125 1.02 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9968 116.03441619873 21938.626953125 5.96 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9969 118.376136779785 2806.47827148438 0.76 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9970 123.772552490234 2964.31640625 0.8 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9971 127.050338745117 7293.83837890625 1.98 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9972 133.060852050781 290731.1875 78.92 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9973 142.062759399414 12910.2421875 3.5 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9974 143.117919921875 368379.6875 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9975 144.076751708984 4025.7939453125 1.09 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9976 155.045227050781 18109.939453125 4.92 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9977 156.026641845703 114185.203125 31 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9978 171.113159179688 19947.521484375 5.41 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9979 172.071929931641 5298.69873046875 1.44 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9980 188.068435668945 35821.4296875 9.72 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9981 189.123565673828 3595.55395507812 0.98 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9982 204.063095092773 19359.33203125 5.26 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9983 208.456588745117 3086.19995117188 0.84 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9984 223.107849121094 15110.73828125 4.1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9985 223.662109375 3248.54150390625 0.88 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9986 224.804077148438 2972.18481445312 0.81 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9987 227.103210449219 3639.86059570312 0.99 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9988 240.131469726562 3783.43115234375 1.03 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9989 246.144180297852 3886.61254882812 1.06 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9990 303.094879150391 68342.453125 18.55 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9991 303.131011962891 13898.3095703125 3.77 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9992 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9993 RECORD_TITLE: MZ:303.0947 | RT:105.5 | grpid:373 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9994 MS$FOCUSED_ION: PRECURSOR_M/Z 303.0947265625 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9995 AC$CHROMATOGRAPHY: RETENTION_TIME 105.491046 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9996 XCMS groupid (grpid): 373 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9997 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9998 PK$NUM_PEAK: 19 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9999 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10000 110.023948669434 15201.4501953125 6.73 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10001 116.03434753418 13027.6708984375 5.77 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10002 121.198669433594 2637.90063476562 1.17 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10003 127.050224304199 13173.5556640625 5.83 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10004 132.101989746094 6252.3115234375 2.77 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10005 133.060836791992 186786 82.67 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10006 142.062683105469 11634.7998046875 5.15 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10007 143.117935180664 225949.796875 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10008 155.044845581055 11967.857421875 5.3 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10009 156.026672363281 111025.0234375 49.14 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10010 171.112991333008 21383.33984375 9.46 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10011 172.072387695312 5797.5126953125 2.57 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10012 188.06803894043 34639.9375 15.33 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10013 204.063125610352 12687.8671875 5.62 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10014 223.106781005859 11206.4306640625 4.96 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10015 240.134368896484 3921.88525390625 1.74 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10016 259.108093261719 2812.29614257812 1.24 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10017 303.094757080078 60774.92578125 26.9 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10018 303.131896972656 13393.4365234375 5.93 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10019 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10020 RECORD_TITLE: MZ:303.0947 | RT:105.5 | grpid:373 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10021 MS$FOCUSED_ION: PRECURSOR_M/Z 303.0947265625 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10022 AC$CHROMATOGRAPHY: RETENTION_TIME 105.491046 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10023 XCMS groupid (grpid): 373 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10024 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10025 PK$NUM_PEAK: 19 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10026 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10027 110.023948669434 15201.4501953125 6.73 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10028 116.03434753418 13027.6708984375 5.77 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10029 121.198669433594 2637.90063476562 1.17 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10030 127.050224304199 13173.5556640625 5.83 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10031 132.101989746094 6252.3115234375 2.77 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10032 133.060836791992 186786 82.67 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10033 142.062683105469 11634.7998046875 5.15 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10034 143.117935180664 225949.796875 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10035 155.044845581055 11967.857421875 5.3 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10036 156.026672363281 111025.0234375 49.14 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10037 171.112991333008 21383.33984375 9.46 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10038 172.072387695312 5797.5126953125 2.57 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10039 188.06803894043 34639.9375 15.33 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10040 204.063125610352 12687.8671875 5.62 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10041 223.106781005859 11206.4306640625 4.96 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10042 240.134368896484 3921.88525390625 1.74 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10043 259.108093261719 2812.29614257812 1.24 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10044 303.094757080078 60774.92578125 26.9 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10045 303.131896972656 13393.4365234375 5.93 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10046 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10047 RECORD_TITLE: MZ:303.1659 | RT:61.5 | grpid:373 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10048 MS$FOCUSED_ION: PRECURSOR_M/Z 303.165893554688 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10049 AC$CHROMATOGRAPHY: RETENTION_TIME 61.541034 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10050 XCMS groupid (grpid): 373 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10051 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10052 PK$NUM_PEAK: 41 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10053 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10054 101.071395874023 18300.72265625 14.83 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10055 110.023971557617 88799.8046875 71.98 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10056 110.071678161621 4078.85327148438 3.31 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10057 113.108039855957 4713.57666015625 3.82 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10058 124.075775146484 4389.90283203125 3.56 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10059 127.050109863281 4293.4560546875 3.48 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10060 129.065963745117 4180.9111328125 3.39 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10061 129.102508544922 11941.1533203125 9.68 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10062 130.049957275391 123366.5 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10063 131.045059204102 29113.298828125 23.6 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10064 131.118392944336 12747.1845703125 10.33 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10065 138.091598510742 18277.814453125 14.82 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10066 141.065948486328 7267.92138671875 5.89 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10067 141.102569580078 16653.923828125 13.5 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10068 147.076400756836 62051.40625 50.3 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10069 152.033843994141 5171.01904296875 4.19 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10070 152.070327758789 4126.0048828125 3.34 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10071 155.045593261719 5225.84326171875 4.24 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10072 155.118270874023 7250.77001953125 5.88 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10073 156.029037475586 113651.671875 92.13 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10074 157.097305297852 11774.015625 9.54 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10075 169.060745239258 11740.919921875 9.52 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10076 169.234603881836 2946.80346679688 2.39 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10077 170.044723510742 57504.55078125 46.61 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10078 172.071853637695 12358.83984375 10.02 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10079 173.055679321289 109214.0390625 88.53 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10080 182.128372192383 23088.28125 18.72 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10081 183.112823486328 70923.25 57.49 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10082 186.08821105957 6221.98974609375 5.04 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10083 187.071319580078 66795.359375 54.14 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10084 190.082260131836 98184.53125 79.59 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10085 199.106979370117 6042.24609375 4.9 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10086 200.140121459961 12713.0029296875 10.31 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10087 204.097839355469 68957.71875 55.9 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10088 211.107452392578 22775.44140625 18.46 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10089 224.080169677734 4738.3037109375 3.84 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10090 226.79020690918 3202.00537109375 2.6 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10091 228.13493347168 14781.4248046875 11.98 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10092 258.145233154297 13773.197265625 11.16 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10093 261.076416015625 4368.72607421875 3.54 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10094 285.155242919922 5692.4150390625 4.61 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10095 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10096 RECORD_TITLE: MZ:303.1659 | RT:61.5 | grpid:373 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10097 MS$FOCUSED_ION: PRECURSOR_M/Z 303.165893554688 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10098 AC$CHROMATOGRAPHY: RETENTION_TIME 61.541034 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10099 XCMS groupid (grpid): 373 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10100 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10101 PK$NUM_PEAK: 41 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10102 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10103 101.071395874023 18300.72265625 14.83 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10104 110.023971557617 88799.8046875 71.98 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10105 110.071678161621 4078.85327148438 3.31 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10106 113.108039855957 4713.57666015625 3.82 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10107 124.075775146484 4389.90283203125 3.56 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10108 127.050109863281 4293.4560546875 3.48 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10109 129.065963745117 4180.9111328125 3.39 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10110 129.102508544922 11941.1533203125 9.68 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10111 130.049957275391 123366.5 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10112 131.045059204102 29113.298828125 23.6 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10113 131.118392944336 12747.1845703125 10.33 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10114 138.091598510742 18277.814453125 14.82 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10115 141.065948486328 7267.92138671875 5.89 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10116 141.102569580078 16653.923828125 13.5 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10117 147.076400756836 62051.40625 50.3 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10118 152.033843994141 5171.01904296875 4.19 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10119 152.070327758789 4126.0048828125 3.34 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10120 155.045593261719 5225.84326171875 4.24 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10121 155.118270874023 7250.77001953125 5.88 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10122 156.029037475586 113651.671875 92.13 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10123 157.097305297852 11774.015625 9.54 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10124 169.060745239258 11740.919921875 9.52 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10125 169.234603881836 2946.80346679688 2.39 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10126 170.044723510742 57504.55078125 46.61 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10127 172.071853637695 12358.83984375 10.02 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10128 173.055679321289 109214.0390625 88.53 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10129 182.128372192383 23088.28125 18.72 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10130 183.112823486328 70923.25 57.49 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10131 186.08821105957 6221.98974609375 5.04 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10132 187.071319580078 66795.359375 54.14 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10133 190.082260131836 98184.53125 79.59 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10134 199.106979370117 6042.24609375 4.9 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10135 200.140121459961 12713.0029296875 10.31 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10136 204.097839355469 68957.71875 55.9 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10137 211.107452392578 22775.44140625 18.46 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10138 224.080169677734 4738.3037109375 3.84 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10139 226.79020690918 3202.00537109375 2.6 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10140 228.13493347168 14781.4248046875 11.98 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10141 258.145233154297 13773.197265625 11.16 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10142 261.076416015625 4368.72607421875 3.54 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10143 285.155242919922 5692.4150390625 4.61 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10144 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10145 RECORD_TITLE: MZ:303.0948 | RT:106.6 | grpid:373 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10146 MS$FOCUSED_ION: PRECURSOR_M/Z 303.094757080078 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10147 AC$CHROMATOGRAPHY: RETENTION_TIME 106.573314 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10148 XCMS groupid (grpid): 373 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10149 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10150 PK$NUM_PEAK: 22 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10151 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10152 110.02392578125 14553.478515625 4.57 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10153 115.762519836426 2732.40161132812 0.86 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10154 116.034400939941 20459.330078125 6.43 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10155 127.050415039062 5022.32373046875 1.58 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10156 132.102035522461 5747.68408203125 1.81 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10157 133.060852050781 271875.46875 85.43 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10158 138.820343017578 2906.92578125 0.91 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10159 142.062805175781 16348.48046875 5.14 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10160 143.117935180664 318253.21875 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10161 144.076812744141 3063.89331054688 0.96 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10162 155.044738769531 12208.62109375 3.84 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10163 156.026809692383 101227.3671875 31.81 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10164 171.113189697266 26646.55859375 8.37 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10165 172.071548461914 5300.23779296875 1.67 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10166 188.068145751953 38924.30078125 12.23 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10167 189.422637939453 3221.42138671875 1.01 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10168 204.063247680664 21563.57421875 6.78 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10169 223.10791015625 17075.767578125 5.37 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10170 240.133682250977 5821.06689453125 1.83 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10171 303.095336914062 63165.71484375 19.85 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10172 303.131256103516 14183.5498046875 4.46 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10173 305.864379882812 3475.26684570312 1.09 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10174 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10175 RECORD_TITLE: MZ:303.0948 | RT:106.6 | grpid:373 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10176 MS$FOCUSED_ION: PRECURSOR_M/Z 303.094757080078 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10177 AC$CHROMATOGRAPHY: RETENTION_TIME 106.573314 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10178 XCMS groupid (grpid): 373 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10179 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10180 PK$NUM_PEAK: 22 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10181 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10182 110.02392578125 14553.478515625 4.57 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10183 115.762519836426 2732.40161132812 0.86 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10184 116.034400939941 20459.330078125 6.43 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10185 127.050415039062 5022.32373046875 1.58 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10186 132.102035522461 5747.68408203125 1.81 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10187 133.060852050781 271875.46875 85.43 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10188 138.820343017578 2906.92578125 0.91 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10189 142.062805175781 16348.48046875 5.14 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10190 143.117935180664 318253.21875 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10191 144.076812744141 3063.89331054688 0.96 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10192 155.044738769531 12208.62109375 3.84 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10193 156.026809692383 101227.3671875 31.81 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10194 171.113189697266 26646.55859375 8.37 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10195 172.071548461914 5300.23779296875 1.67 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10196 188.068145751953 38924.30078125 12.23 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10197 189.422637939453 3221.42138671875 1.01 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10198 204.063247680664 21563.57421875 6.78 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10199 223.10791015625 17075.767578125 5.37 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10200 240.133682250977 5821.06689453125 1.83 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10201 303.095336914062 63165.71484375 19.85 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10202 303.131256103516 14183.5498046875 4.46 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10203 305.864379882812 3475.26684570312 1.09 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10204 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10205 RECORD_TITLE: MZ:306.1654 | RT:60.6 | grpid:379 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10206 MS$FOCUSED_ION: PRECURSOR_M/Z 306.165435791016 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10207 AC$CHROMATOGRAPHY: RETENTION_TIME 60.634806 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10208 XCMS groupid (grpid): 379 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10209 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10210 PK$NUM_PEAK: 27 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10211 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10212 102.055488586426 3576.6201171875 2.29 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10213 106.050354003906 46062.7578125 29.46 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10214 114.09162902832 24265.951171875 15.52 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10215 116.034889221191 3464.34204101562 2.22 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10216 116.070938110352 47780.54296875 30.56 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10217 118.086624145508 18764.42578125 12 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10218 120.065841674805 5843.3857421875 3.74 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10219 125.10701751709 6236.45361328125 3.99 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10220 143.081573486328 16498.578125 10.55 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10221 145.061111450195 4047.91162109375 2.59 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10222 155.11897277832 3734.548828125 2.39 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10223 157.060852050781 18543.07421875 11.86 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10224 159.112808227539 156353.765625 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10225 161.092071533203 46908.3671875 30 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10226 173.128387451172 70398.625 45.03 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10227 175.071090698242 33748.87890625 21.58 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10228 183.11262512207 4677.25048828125 2.99 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10229 187.107650756836 12120.2392578125 7.75 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10230 189.086807250977 20967.38671875 13.41 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10231 193.081909179688 63796.453125 40.8 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10232 201.123672485352 34563.19140625 22.11 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10233 205.117584228516 26845.326171875 17.17 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10234 208.270767211914 3350.55541992188 2.14 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10235 255.378860473633 3034.83129882812 1.94 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10236 276.966583251953 3468.1474609375 2.22 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10237 304.058044433594 3342.54663085938 2.14 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10238 304.39501953125 3399.11840820312 2.17 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10239 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10240 RECORD_TITLE: MZ:306.1654 | RT:60.6 | grpid:379 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10241 MS$FOCUSED_ION: PRECURSOR_M/Z 306.165435791016 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10242 AC$CHROMATOGRAPHY: RETENTION_TIME 60.634806 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10243 XCMS groupid (grpid): 379 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10244 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10245 PK$NUM_PEAK: 27 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10246 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10247 102.055488586426 3576.6201171875 2.29 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10248 106.050354003906 46062.7578125 29.46 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10249 114.09162902832 24265.951171875 15.52 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10250 116.034889221191 3464.34204101562 2.22 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10251 116.070938110352 47780.54296875 30.56 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10252 118.086624145508 18764.42578125 12 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10253 120.065841674805 5843.3857421875 3.74 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10254 125.10701751709 6236.45361328125 3.99 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10255 143.081573486328 16498.578125 10.55 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10256 145.061111450195 4047.91162109375 2.59 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10257 155.11897277832 3734.548828125 2.39 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10258 157.060852050781 18543.07421875 11.86 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10259 159.112808227539 156353.765625 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10260 161.092071533203 46908.3671875 30 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10261 173.128387451172 70398.625 45.03 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10262 175.071090698242 33748.87890625 21.58 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10263 183.11262512207 4677.25048828125 2.99 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10264 187.107650756836 12120.2392578125 7.75 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10265 189.086807250977 20967.38671875 13.41 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10266 193.081909179688 63796.453125 40.8 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10267 201.123672485352 34563.19140625 22.11 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10268 205.117584228516 26845.326171875 17.17 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10269 208.270767211914 3350.55541992188 2.14 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10270 255.378860473633 3034.83129882812 1.94 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10271 276.966583251953 3468.1474609375 2.22 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10272 304.058044433594 3342.54663085938 2.14 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10273 304.39501953125 3399.11840820312 2.17 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10274 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10275 RECORD_TITLE: MZ:306.1654 | RT:60.8 | grpid:379 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10276 MS$FOCUSED_ION: PRECURSOR_M/Z 306.165435791016 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10277 AC$CHROMATOGRAPHY: RETENTION_TIME 60.766158 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10278 XCMS groupid (grpid): 379 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10279 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10280 PK$NUM_PEAK: 25 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10281 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10282 106.050323486328 74894.4453125 61.29 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10283 112.64949798584 2889.20166015625 2.36 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10284 116.070846557617 37102.015625 30.36 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10285 118.086418151855 6624.6845703125 5.42 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10286 125.107727050781 4460.64892578125 3.65 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10287 143.081680297852 16651.744140625 13.63 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10288 155.118011474609 5382.689453125 4.41 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10289 157.061019897461 29957.42578125 24.52 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10290 159.113739013672 3697.47241210938 3.03 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10291 161.092239379883 22938.021484375 18.77 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10292 166.177749633789 2888.244140625 2.36 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10293 171.077407836914 4816.36328125 3.94 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10294 173.128509521484 108080.40625 88.45 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10295 175.071166992188 53143.015625 43.49 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10296 183.112609863281 5233.77685546875 4.28 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10297 189.08740234375 17957.861328125 14.7 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10298 193.082046508789 122190.5546875 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10299 198.921890258789 3008.00170898438 2.46 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10300 201.122833251953 43605.234375 35.69 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10301 202.244415283203 3381.41357421875 2.77 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10302 205.118576049805 14258.4404296875 11.67 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10303 207.097396850586 3845.00024414062 3.15 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10304 219.135238647461 3163.32836914062 2.59 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10305 270.143188476562 3606.33642578125 2.95 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10306 309.902038574219 3108.3212890625 2.54 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10307 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10308 RECORD_TITLE: MZ:306.1654 | RT:60.8 | grpid:379 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10309 MS$FOCUSED_ION: PRECURSOR_M/Z 306.165435791016 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10310 AC$CHROMATOGRAPHY: RETENTION_TIME 60.766158 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10311 XCMS groupid (grpid): 379 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10312 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10313 PK$NUM_PEAK: 25 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10314 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10315 106.050323486328 74894.4453125 61.29 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10316 112.64949798584 2889.20166015625 2.36 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10317 116.070846557617 37102.015625 30.36 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10318 118.086418151855 6624.6845703125 5.42 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10319 125.107727050781 4460.64892578125 3.65 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10320 143.081680297852 16651.744140625 13.63 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10321 155.118011474609 5382.689453125 4.41 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10322 157.061019897461 29957.42578125 24.52 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10323 159.113739013672 3697.47241210938 3.03 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10324 161.092239379883 22938.021484375 18.77 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10325 166.177749633789 2888.244140625 2.36 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10326 171.077407836914 4816.36328125 3.94 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10327 173.128509521484 108080.40625 88.45 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10328 175.071166992188 53143.015625 43.49 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10329 183.112609863281 5233.77685546875 4.28 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10330 189.08740234375 17957.861328125 14.7 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10331 193.082046508789 122190.5546875 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10332 198.921890258789 3008.00170898438 2.46 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10333 201.122833251953 43605.234375 35.69 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10334 202.244415283203 3381.41357421875 2.77 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10335 205.118576049805 14258.4404296875 11.67 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10336 207.097396850586 3845.00024414062 3.15 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10337 219.135238647461 3163.32836914062 2.59 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10338 270.143188476562 3606.33642578125 2.95 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10339 309.902038574219 3108.3212890625 2.54 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10340 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10341 RECORD_TITLE: MZ:307.0644 | RT:83.4 | grpid:381 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10342 MS$FOCUSED_ION: PRECURSOR_M/Z 307.064361572266 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10343 AC$CHROMATOGRAPHY: RETENTION_TIME 83.441172 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10344 XCMS groupid (grpid): 381 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10345 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10346 PK$NUM_PEAK: 9 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10347 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10348 133.049545288086 5159.76806640625 0.38 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10349 155.031463623047 6253.12939453125 0.46 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10350 156.391296386719 3223.2578125 0.24 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10351 174.132141113281 6437.02978515625 0.47 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10352 175.02262878418 1363466.75 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10353 193.032424926758 3446.2578125 0.25 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10354 193.298492431641 2871.95751953125 0.21 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10355 216.04899597168 22096.67578125 1.62 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10356 307.064575195312 124718.9375 9.15 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10357 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10358 RECORD_TITLE: MZ:307.0644 | RT:83.4 | grpid:381 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10359 MS$FOCUSED_ION: PRECURSOR_M/Z 307.064361572266 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10360 AC$CHROMATOGRAPHY: RETENTION_TIME 83.441172 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10361 XCMS groupid (grpid): 381 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10362 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10363 PK$NUM_PEAK: 9 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10364 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10365 133.049545288086 5159.76806640625 0.38 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10366 155.031463623047 6253.12939453125 0.46 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10367 156.391296386719 3223.2578125 0.24 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10368 174.132141113281 6437.02978515625 0.47 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10369 175.02262878418 1363466.75 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10370 193.032424926758 3446.2578125 0.25 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10371 193.298492431641 2871.95751953125 0.21 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10372 216.04899597168 22096.67578125 1.62 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10373 307.064575195312 124718.9375 9.15 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10374 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10375 RECORD_TITLE: MZ:307.0644 | RT:84.4 | grpid:381 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10376 MS$FOCUSED_ION: PRECURSOR_M/Z 307.064361572266 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10377 AC$CHROMATOGRAPHY: RETENTION_TIME 84.41529 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10378 XCMS groupid (grpid): 381 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10379 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10380 PK$NUM_PEAK: 10 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10381 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10382 118.766929626465 2792.95947265625 0.22 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10383 133.049179077148 4814.24609375 0.39 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10384 155.032363891602 3902.88134765625 0.31 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10385 173.128509521484 4659.6298828125 0.37 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10386 174.131713867188 16377.5361328125 1.32 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10387 175.022659301758 1243427.75 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10388 194.809097290039 2825.58129882812 0.23 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10389 216.04899597168 16765.642578125 1.35 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10390 294.689575195312 3187.49096679688 0.26 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10391 307.065185546875 100591.7265625 8.09 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10392 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10393 RECORD_TITLE: MZ:307.0644 | RT:84.4 | grpid:381 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10394 MS$FOCUSED_ION: PRECURSOR_M/Z 307.064361572266 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10395 AC$CHROMATOGRAPHY: RETENTION_TIME 84.41529 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10396 XCMS groupid (grpid): 381 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10397 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10398 PK$NUM_PEAK: 10 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10399 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10400 118.766929626465 2792.95947265625 0.22 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10401 133.049179077148 4814.24609375 0.39 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10402 155.032363891602 3902.88134765625 0.31 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10403 173.128509521484 4659.6298828125 0.37 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10404 174.131713867188 16377.5361328125 1.32 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10405 175.022659301758 1243427.75 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10406 194.809097290039 2825.58129882812 0.23 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10407 216.04899597168 16765.642578125 1.35 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10408 294.689575195312 3187.49096679688 0.26 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10409 307.065185546875 100591.7265625 8.09 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10410 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10411 RECORD_TITLE: MZ:310.1391 | RT:64.4 | grpid:390 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10412 MS$FOCUSED_ION: PRECURSOR_M/Z 310.139099121094 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10413 AC$CHROMATOGRAPHY: RETENTION_TIME 64.427298 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10414 XCMS groupid (grpid): 390 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10415 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10416 PK$NUM_PEAK: 30 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10417 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10418 101.071449279785 48478.1953125 3.65 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10419 102.055252075195 7670.65087890625 0.58 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10420 107.049453735352 45553.19921875 3.43 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10421 118.064765930176 5521.37060546875 0.42 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10422 119.049392700195 170980.6875 12.88 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10423 129.102386474609 19331.947265625 1.46 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10424 130.049987792969 634170.25 47.77 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10425 130.086410522461 27528.513671875 2.07 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10426 136.075744628906 1327431.125 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10427 142.047698974609 4177.8212890625 0.31 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10428 147.044296264648 79662.3125 6 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10429 147.076385498047 580076.5625 43.7 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10430 147.112426757812 29871.99609375 2.25 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10431 164.070419311523 6033.85009765625 0.45 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10432 165.054351806641 4315.41455078125 0.33 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10433 171.076309204102 4954.19189453125 0.37 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10434 181.097259521484 39991.01171875 3.01 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10435 182.080657958984 3655.09594726562 0.28 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10436 195.074569702148 17532.904296875 1.32 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10437 202.086074829102 6956.16845703125 0.52 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10438 208.992401123047 3394.27856445312 0.26 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10439 213.083847045898 15632.0244140625 1.18 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10440 248.093536376953 5122.92138671875 0.39 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10441 258.075561523438 4643.25 0.35 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10442 266.110534667969 46120.03125 3.47 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10443 274.932250976562 3154.478515625 0.24 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10444 276.086181640625 35498.7421875 2.67 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10445 293.112335205078 16164.1708984375 1.22 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10446 310.14013671875 39121.29296875 2.95 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10447 310.173400878906 6785.9521484375 0.51 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10448 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10449 RECORD_TITLE: MZ:310.1391 | RT:64.4 | grpid:390 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10450 MS$FOCUSED_ION: PRECURSOR_M/Z 310.139099121094 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10451 AC$CHROMATOGRAPHY: RETENTION_TIME 64.427298 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10452 XCMS groupid (grpid): 390 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10453 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10454 PK$NUM_PEAK: 30 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10455 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10456 101.071449279785 48478.1953125 3.65 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10457 102.055252075195 7670.65087890625 0.58 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10458 107.049453735352 45553.19921875 3.43 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10459 118.064765930176 5521.37060546875 0.42 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10460 119.049392700195 170980.6875 12.88 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10461 129.102386474609 19331.947265625 1.46 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10462 130.049987792969 634170.25 47.77 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10463 130.086410522461 27528.513671875 2.07 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10464 136.075744628906 1327431.125 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10465 142.047698974609 4177.8212890625 0.31 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10466 147.044296264648 79662.3125 6 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10467 147.076385498047 580076.5625 43.7 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10468 147.112426757812 29871.99609375 2.25 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10469 164.070419311523 6033.85009765625 0.45 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10470 165.054351806641 4315.41455078125 0.33 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10471 171.076309204102 4954.19189453125 0.37 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10472 181.097259521484 39991.01171875 3.01 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10473 182.080657958984 3655.09594726562 0.28 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10474 195.074569702148 17532.904296875 1.32 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10475 202.086074829102 6956.16845703125 0.52 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10476 208.992401123047 3394.27856445312 0.26 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10477 213.083847045898 15632.0244140625 1.18 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10478 248.093536376953 5122.92138671875 0.39 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10479 258.075561523438 4643.25 0.35 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10480 266.110534667969 46120.03125 3.47 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10481 274.932250976562 3154.478515625 0.24 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10482 276.086181640625 35498.7421875 2.67 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10483 293.112335205078 16164.1708984375 1.22 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10484 310.14013671875 39121.29296875 2.95 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10485 310.173400878906 6785.9521484375 0.51 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10486 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10487 RECORD_TITLE: MZ:310.1733 | RT:99.9 | grpid:390 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10488 MS$FOCUSED_ION: PRECURSOR_M/Z 310.173309326172 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10489 AC$CHROMATOGRAPHY: RETENTION_TIME 99.89805 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10490 XCMS groupid (grpid): 390 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10491 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10492 PK$NUM_PEAK: 11 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10493 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10494 110.155097961426 2676.5810546875 0.85 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10495 112.037208557129 93422.6875 29.64 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10496 128.505966186523 2817.84057617188 0.89 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10497 136.075531005859 6109.5654296875 1.94 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10498 140.068084716797 6223.75146484375 1.97 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10499 150.052597045898 58786.20703125 18.65 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10500 211.104736328125 10040.5458984375 3.19 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10501 221.125839233398 5832.0478515625 1.85 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10502 239.136581420898 117392.2734375 37.25 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10503 304.273651123047 2863.95190429688 0.91 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10504 310.173461914062 315141.34375 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10505 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10506 RECORD_TITLE: MZ:310.1733 | RT:99.9 | grpid:390 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10507 MS$FOCUSED_ION: PRECURSOR_M/Z 310.173309326172 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10508 AC$CHROMATOGRAPHY: RETENTION_TIME 99.89805 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10509 XCMS groupid (grpid): 390 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10510 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10511 PK$NUM_PEAK: 11 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10512 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10513 110.155097961426 2676.5810546875 0.85 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10514 112.037208557129 93422.6875 29.64 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10515 128.505966186523 2817.84057617188 0.89 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10516 136.075531005859 6109.5654296875 1.94 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10517 140.068084716797 6223.75146484375 1.97 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10518 150.052597045898 58786.20703125 18.65 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10519 211.104736328125 10040.5458984375 3.19 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10520 221.125839233398 5832.0478515625 1.85 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10521 239.136581420898 117392.2734375 37.25 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10522 304.273651123047 2863.95190429688 0.91 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10523 310.173461914062 315141.34375 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10524 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10525 RECORD_TITLE: MZ:310.1733 | RT:100.1 | grpid:390 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10526 MS$FOCUSED_ION: PRECURSOR_M/Z 310.173309326172 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10527 AC$CHROMATOGRAPHY: RETENTION_TIME 100.10529 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10528 XCMS groupid (grpid): 390 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10529 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10530 PK$NUM_PEAK: 20 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10531 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10532 112.037353515625 76872.484375 23.39 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10533 122.226097106934 2590.57788085938 0.79 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10534 136.075698852539 2975.9716796875 0.91 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10535 140.068496704102 13813.8818359375 4.2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10536 150.052734375 64153.66796875 19.52 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10537 150.443908691406 2979.03173828125 0.91 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10538 152.053649902344 6134.9091796875 1.87 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10539 161.502365112305 2828.345703125 0.86 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10540 211.104782104492 17736.466796875 5.4 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10541 221.125762939453 5041.767578125 1.53 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10542 231.580581665039 2973.04028320312 0.9 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10543 234.454711914062 2736.16625976562 0.83 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10544 239.136474609375 120187.484375 36.57 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10545 241.37614440918 3378.51806640625 1.03 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10546 245.100341796875 3069.955078125 0.93 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10547 250.42936706543 2767.24926757812 0.84 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10548 283.275482177734 3348.0849609375 1.02 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10549 292.165405273438 3616.77392578125 1.1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10550 310.173583984375 328608.09375 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10551 332.187194824219 2774.29077148438 0.84 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10552 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10553 RECORD_TITLE: MZ:310.1733 | RT:100.1 | grpid:390 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10554 MS$FOCUSED_ION: PRECURSOR_M/Z 310.173309326172 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10555 AC$CHROMATOGRAPHY: RETENTION_TIME 100.10529 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10556 XCMS groupid (grpid): 390 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10557 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10558 PK$NUM_PEAK: 20 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10559 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10560 112.037353515625 76872.484375 23.39 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10561 122.226097106934 2590.57788085938 0.79 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10562 136.075698852539 2975.9716796875 0.91 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10563 140.068496704102 13813.8818359375 4.2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10564 150.052734375 64153.66796875 19.52 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10565 150.443908691406 2979.03173828125 0.91 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10566 152.053649902344 6134.9091796875 1.87 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10567 161.502365112305 2828.345703125 0.86 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10568 211.104782104492 17736.466796875 5.4 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10569 221.125762939453 5041.767578125 1.53 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10570 231.580581665039 2973.04028320312 0.9 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10571 234.454711914062 2736.16625976562 0.83 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10572 239.136474609375 120187.484375 36.57 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10573 241.37614440918 3378.51806640625 1.03 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10574 245.100341796875 3069.955078125 0.93 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10575 250.42936706543 2767.24926757812 0.84 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10576 283.275482177734 3348.0849609375 1.02 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10577 292.165405273438 3616.77392578125 1.1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10578 310.173583984375 328608.09375 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10579 332.187194824219 2774.29077148438 0.84 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10580 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10581 RECORD_TITLE: MZ:311.1232 | RT:60.6 | grpid:391 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10582 MS$FOCUSED_ION: PRECURSOR_M/Z 311.123199462891 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10583 AC$CHROMATOGRAPHY: RETENTION_TIME 60.634806 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10584 XCMS groupid (grpid): 391 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10585 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10586 PK$NUM_PEAK: 22 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10587 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10588 102.055458068848 76959.8515625 11.06 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10589 107.049293518066 17190.248046875 2.47 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10590 119.049499511719 59540.203125 8.55 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10591 123.044303894043 60334.95703125 8.67 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10592 125.070899963379 4262.61376953125 0.61 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10593 130.049652099609 4640.02734375 0.67 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10594 136.075744628906 696038.6875 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10595 147.044006347656 43090.68359375 6.19 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10596 148.060165405273 5060.16064453125 0.73 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10597 148.084915161133 2965.43701171875 0.43 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10598 153.065856933594 15198.3740234375 2.18 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10599 159.057067871094 2885.26391601562 0.41 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10600 165.054641723633 211866.109375 30.44 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10601 182.081207275391 288312.28125 41.42 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10602 192.803115844727 2815.35791015625 0.4 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10603 202.085876464844 40063.30078125 5.76 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10604 247.107452392578 215120.8125 30.91 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10605 261.415008544922 3475.93676757812 0.5 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10606 293.112396240234 32461.78125 4.66 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10607 294.107330322266 3196.60620117188 0.46 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10608 297.643768310547 3068.45141601562 0.44 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10609 311.13720703125 3376.45483398438 0.49 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10610 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10611 RECORD_TITLE: MZ:311.1232 | RT:60.6 | grpid:391 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10612 MS$FOCUSED_ION: PRECURSOR_M/Z 311.123199462891 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10613 AC$CHROMATOGRAPHY: RETENTION_TIME 60.634806 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10614 XCMS groupid (grpid): 391 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10615 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10616 PK$NUM_PEAK: 22 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10617 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10618 102.055458068848 76959.8515625 11.06 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10619 107.049293518066 17190.248046875 2.47 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10620 119.049499511719 59540.203125 8.55 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10621 123.044303894043 60334.95703125 8.67 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10622 125.070899963379 4262.61376953125 0.61 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10623 130.049652099609 4640.02734375 0.67 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10624 136.075744628906 696038.6875 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10625 147.044006347656 43090.68359375 6.19 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10626 148.060165405273 5060.16064453125 0.73 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10627 148.084915161133 2965.43701171875 0.43 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10628 153.065856933594 15198.3740234375 2.18 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10629 159.057067871094 2885.26391601562 0.41 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10630 165.054641723633 211866.109375 30.44 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10631 182.081207275391 288312.28125 41.42 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10632 192.803115844727 2815.35791015625 0.4 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10633 202.085876464844 40063.30078125 5.76 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10634 247.107452392578 215120.8125 30.91 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10635 261.415008544922 3475.93676757812 0.5 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10636 293.112396240234 32461.78125 4.66 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10637 294.107330322266 3196.60620117188 0.46 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10638 297.643768310547 3068.45141601562 0.44 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10639 311.13720703125 3376.45483398438 0.49 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10640 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10641 RECORD_TITLE: MZ:311.1232 | RT:60.6 | grpid:391 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10642 MS$FOCUSED_ION: PRECURSOR_M/Z 311.123229980469 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10643 AC$CHROMATOGRAPHY: RETENTION_TIME 60.634806 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10644 XCMS groupid (grpid): 391 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10645 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10646 PK$NUM_PEAK: 32 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10647 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10648 102.055267333984 25959.181640625 1.56 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10649 103.05436706543 7600.23388671875 0.46 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10650 107.049491882324 6836.66650390625 0.41 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10651 109.065208435059 5418.91796875 0.33 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10652 119.049354553223 371885.4375 22.41 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10653 120.052780151367 7634.90185546875 0.46 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10654 121.065139770508 9486.77734375 0.57 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10655 123.044273376465 666841.75 40.19 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10656 130.049957275391 285675.53125 17.22 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10657 131.053817749023 35711.140625 2.15 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10658 136.075714111328 1659194.25 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10659 137.061065673828 4383.38623046875 0.26 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10660 137.079177856445 113667.5234375 6.85 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10661 147.043991088867 318522.1875 19.2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10662 147.076293945312 62146.0859375 3.75 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10663 148.047470092773 6516.5263671875 0.39 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10664 148.080047607422 35857.18359375 2.16 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10665 151.880661010742 4251.25390625 0.26 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10666 165.054595947266 1321395.125 79.64 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10667 166.294631958008 4826.2314453125 0.29 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10668 182.081146240234 536583.5625 32.34 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10669 202.086196899414 256501.421875 15.46 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10670 202.100662231445 5722.71240234375 0.34 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10671 208.105499267578 5755.10595703125 0.35 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10672 212.064331054688 61784.80859375 3.72 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10673 248.091522216797 136433.484375 8.22 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10674 248.334350585938 4942.72265625 0.3 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10675 250.001190185547 4457.26806640625 0.27 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10676 275.164428710938 4258.0537109375 0.26 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10677 290.621398925781 4374.6171875 0.26 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10678 294.096374511719 93190.0859375 5.62 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10679 311.131652832031 58676.25390625 3.54 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10680 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10681 RECORD_TITLE: MZ:311.1232 | RT:60.6 | grpid:391 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10682 MS$FOCUSED_ION: PRECURSOR_M/Z 311.123229980469 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10683 AC$CHROMATOGRAPHY: RETENTION_TIME 60.634806 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10684 XCMS groupid (grpid): 391 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10685 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10686 PK$NUM_PEAK: 32 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10687 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10688 102.055267333984 25959.181640625 1.56 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10689 103.05436706543 7600.23388671875 0.46 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10690 107.049491882324 6836.66650390625 0.41 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10691 109.065208435059 5418.91796875 0.33 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10692 119.049354553223 371885.4375 22.41 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10693 120.052780151367 7634.90185546875 0.46 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10694 121.065139770508 9486.77734375 0.57 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10695 123.044273376465 666841.75 40.19 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10696 130.049957275391 285675.53125 17.22 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10697 131.053817749023 35711.140625 2.15 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10698 136.075714111328 1659194.25 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10699 137.061065673828 4383.38623046875 0.26 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10700 137.079177856445 113667.5234375 6.85 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10701 147.043991088867 318522.1875 19.2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10702 147.076293945312 62146.0859375 3.75 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10703 148.047470092773 6516.5263671875 0.39 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10704 148.080047607422 35857.18359375 2.16 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10705 151.880661010742 4251.25390625 0.26 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10706 165.054595947266 1321395.125 79.64 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10707 166.294631958008 4826.2314453125 0.29 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10708 182.081146240234 536583.5625 32.34 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10709 202.086196899414 256501.421875 15.46 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10710 202.100662231445 5722.71240234375 0.34 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10711 208.105499267578 5755.10595703125 0.35 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10712 212.064331054688 61784.80859375 3.72 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10713 248.091522216797 136433.484375 8.22 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10714 248.334350585938 4942.72265625 0.3 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10715 250.001190185547 4457.26806640625 0.27 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10716 275.164428710938 4258.0537109375 0.26 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10717 290.621398925781 4374.6171875 0.26 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10718 294.096374511719 93190.0859375 5.62 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10719 311.131652832031 58676.25390625 3.54 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10720 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10721 RECORD_TITLE: MZ:311.1233 | RT:60.8 | grpid:391 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10722 MS$FOCUSED_ION: PRECURSOR_M/Z 311.123321533203 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10723 AC$CHROMATOGRAPHY: RETENTION_TIME 60.766158 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10724 XCMS groupid (grpid): 391 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10725 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10726 PK$NUM_PEAK: 26 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10727 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10728 102.048942565918 4303.8115234375 0.76 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10729 102.055313110352 74308.8984375 13.2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10730 107.049201965332 18898.404296875 3.36 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10731 114.61727142334 2876.46118164062 0.51 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10732 119.049339294434 51428.6875 9.13 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10733 119.307312011719 3252.21557617188 0.58 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10734 123.044212341309 51497.53125 9.15 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10735 125.071250915527 6366.970703125 1.13 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10736 134.996307373047 3666.89208984375 0.65 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10737 136.075714111328 563078.1875 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10738 147.043991088867 39670.6875 7.05 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10739 153.065795898438 16919.931640625 3 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10740 155.041900634766 2950.26489257812 0.52 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10741 165.040451049805 6191.5 1.1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10742 165.054611206055 193864.90625 34.43 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10743 173.486709594727 3112.88696289062 0.55 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10744 182.081207275391 279716.875 49.68 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10745 202.086212158203 43266.203125 7.68 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10746 212.546920776367 3294.35961914062 0.59 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10747 215.030548095703 2844.96044921875 0.51 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10748 219.112503051758 3053.4462890625 0.54 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10749 225.296691894531 3369.232421875 0.6 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10750 247.107391357422 206649.390625 36.7 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10751 266.758697509766 3608.98876953125 0.64 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10752 293.114105224609 29779.12890625 5.29 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10753 311.138702392578 3576.6796875 0.64 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10754 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10755 RECORD_TITLE: MZ:311.1233 | RT:60.8 | grpid:391 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10756 MS$FOCUSED_ION: PRECURSOR_M/Z 311.123321533203 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10757 AC$CHROMATOGRAPHY: RETENTION_TIME 60.766158 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10758 XCMS groupid (grpid): 391 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10759 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10760 PK$NUM_PEAK: 26 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10761 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10762 102.048942565918 4303.8115234375 0.76 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10763 102.055313110352 74308.8984375 13.2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10764 107.049201965332 18898.404296875 3.36 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10765 114.61727142334 2876.46118164062 0.51 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10766 119.049339294434 51428.6875 9.13 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10767 119.307312011719 3252.21557617188 0.58 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10768 123.044212341309 51497.53125 9.15 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10769 125.071250915527 6366.970703125 1.13 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10770 134.996307373047 3666.89208984375 0.65 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10771 136.075714111328 563078.1875 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10772 147.043991088867 39670.6875 7.05 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10773 153.065795898438 16919.931640625 3 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10774 155.041900634766 2950.26489257812 0.52 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10775 165.040451049805 6191.5 1.1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10776 165.054611206055 193864.90625 34.43 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10777 173.486709594727 3112.88696289062 0.55 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10778 182.081207275391 279716.875 49.68 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10779 202.086212158203 43266.203125 7.68 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10780 212.546920776367 3294.35961914062 0.59 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10781 215.030548095703 2844.96044921875 0.51 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10782 219.112503051758 3053.4462890625 0.54 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10783 225.296691894531 3369.232421875 0.6 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10784 247.107391357422 206649.390625 36.7 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10785 266.758697509766 3608.98876953125 0.64 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10786 293.114105224609 29779.12890625 5.29 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10787 311.138702392578 3576.6796875 0.64 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10788 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10789 RECORD_TITLE: MZ:311.1233 | RT:60.8 | grpid:391 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10790 MS$FOCUSED_ION: PRECURSOR_M/Z 311.123321533203 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10791 AC$CHROMATOGRAPHY: RETENTION_TIME 60.766158 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10792 XCMS groupid (grpid): 391 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10793 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10794 PK$NUM_PEAK: 28 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10795 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10796 102.055397033691 19171.626953125 2.03 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10797 107.049255371094 4313.7041015625 0.46 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10798 119.049407958984 234709.6875 24.8 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10799 120.052795410156 13018.21875 1.38 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10800 121.065002441406 12987.8896484375 1.37 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10801 123.044296264648 365201.78125 38.58 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10802 130.050018310547 172159.390625 18.19 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10803 131.053527832031 22450.779296875 2.37 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10804 136.075729370117 946540.9375 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10805 137.060455322266 3380.46362304688 0.36 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10806 137.079238891602 73919.7890625 7.81 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10807 147.044006347656 192535.203125 20.34 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10808 147.076248168945 30451.986328125 3.22 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10809 148.079696655273 18641.900390625 1.97 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10810 165.054626464844 735653.75 77.72 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10811 176.294235229492 3482.40258789062 0.37 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10812 182.081192016602 307750.375 32.51 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10813 202.08625793457 142459.71875 15.05 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10814 208.10578918457 6299.55322265625 0.67 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10815 212.064117431641 20118.21875 2.13 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10816 220.097061157227 4142.263671875 0.44 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10817 246.04460144043 4092.14892578125 0.43 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10818 247.108047485352 3668.5224609375 0.39 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10819 248.091094970703 87041.5234375 9.2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10820 294.096649169922 58689.56640625 6.2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10821 311.13134765625 28442.384765625 3 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10822 313.788848876953 3409.77734375 0.36 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10823 320.026641845703 3267.57104492188 0.35 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10824 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10825 RECORD_TITLE: MZ:311.1233 | RT:60.8 | grpid:391 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10826 MS$FOCUSED_ION: PRECURSOR_M/Z 311.123321533203 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10827 AC$CHROMATOGRAPHY: RETENTION_TIME 60.766158 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10828 XCMS groupid (grpid): 391 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10829 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10830 PK$NUM_PEAK: 28 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10831 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10832 102.055397033691 19171.626953125 2.03 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10833 107.049255371094 4313.7041015625 0.46 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10834 119.049407958984 234709.6875 24.8 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10835 120.052795410156 13018.21875 1.38 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10836 121.065002441406 12987.8896484375 1.37 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10837 123.044296264648 365201.78125 38.58 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10838 130.050018310547 172159.390625 18.19 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10839 131.053527832031 22450.779296875 2.37 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10840 136.075729370117 946540.9375 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10841 137.060455322266 3380.46362304688 0.36 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10842 137.079238891602 73919.7890625 7.81 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10843 147.044006347656 192535.203125 20.34 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10844 147.076248168945 30451.986328125 3.22 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10845 148.079696655273 18641.900390625 1.97 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10846 165.054626464844 735653.75 77.72 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10847 176.294235229492 3482.40258789062 0.37 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10848 182.081192016602 307750.375 32.51 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10849 202.08625793457 142459.71875 15.05 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10850 208.10578918457 6299.55322265625 0.67 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10851 212.064117431641 20118.21875 2.13 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10852 220.097061157227 4142.263671875 0.44 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10853 246.04460144043 4092.14892578125 0.43 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10854 247.108047485352 3668.5224609375 0.39 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10855 248.091094970703 87041.5234375 9.2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10856 294.096649169922 58689.56640625 6.2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10857 311.13134765625 28442.384765625 3 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10858 313.788848876953 3409.77734375 0.36 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10859 320.026641845703 3267.57104492188 0.35 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10860 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10861 RECORD_TITLE: MZ:313.1752 | RT:70.5 | grpid:397 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10862 MS$FOCUSED_ION: PRECURSOR_M/Z 313.175231933594 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10863 AC$CHROMATOGRAPHY: RETENTION_TIME 70.461672 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10864 XCMS groupid (grpid): 397 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10865 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10866 PK$NUM_PEAK: 12 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10867 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10868 101.695213317871 3385.59912109375 42.51 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10869 123.04426574707 3538.955078125 44.44 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10870 126.253456115723 3662.13037109375 45.98 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10871 136.07536315918 5355.38623046875 67.25 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10872 145.595932006836 3384.28491210938 42.5 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10873 165.05485534668 7963.8818359375 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10874 182.080932617188 4217.93798828125 52.96 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10875 183.308929443359 3979.28833007812 49.97 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10876 190.214126586914 3634.75854492188 45.64 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10877 275.897308349609 4505.84912109375 56.58 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10878 313.157958984375 4618.80029296875 58 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10879 324.759063720703 3623.89794921875 45.5 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10880 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10881 RECORD_TITLE: MZ:313.1752 | RT:70.5 | grpid:397 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10882 MS$FOCUSED_ION: PRECURSOR_M/Z 313.175231933594 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10883 AC$CHROMATOGRAPHY: RETENTION_TIME 70.461672 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10884 XCMS groupid (grpid): 397 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10885 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10886 PK$NUM_PEAK: 12 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10887 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10888 101.695213317871 3385.59912109375 42.51 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10889 123.04426574707 3538.955078125 44.44 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10890 126.253456115723 3662.13037109375 45.98 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10891 136.07536315918 5355.38623046875 67.25 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10892 145.595932006836 3384.28491210938 42.5 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10893 165.05485534668 7963.8818359375 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10894 182.080932617188 4217.93798828125 52.96 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10895 183.308929443359 3979.28833007812 49.97 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10896 190.214126586914 3634.75854492188 45.64 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10897 275.897308349609 4505.84912109375 56.58 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10898 313.157958984375 4618.80029296875 58 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10899 324.759063720703 3623.89794921875 45.5 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10900 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10901 RECORD_TITLE: MZ:313.1753 | RT:70.6 | grpid:397 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10902 MS$FOCUSED_ION: PRECURSOR_M/Z 313.175262451172 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10903 AC$CHROMATOGRAPHY: RETENTION_TIME 70.627524 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10904 XCMS groupid (grpid): 397 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10905 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10906 PK$NUM_PEAK: 11 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10907 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10908 101.525428771973 4244.95068359375 26.63 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10909 119.048828125 4152.005859375 26.04 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10910 123.043998718262 4032.08984375 25.29 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10911 124.907073974609 4038.091796875 25.33 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10912 130.359146118164 3944.45581054688 24.74 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10913 136.075454711914 9064.216796875 56.86 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10914 150.716735839844 4027.36254882812 25.26 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10915 165.054809570312 15942.01171875 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10916 285.324310302734 4988.541015625 31.29 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10917 313.157501220703 6084.83349609375 38.17 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10918 329.386474609375 3902.72241210938 24.48 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10919 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10920 RECORD_TITLE: MZ:313.1753 | RT:70.6 | grpid:397 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10921 MS$FOCUSED_ION: PRECURSOR_M/Z 313.175262451172 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10922 AC$CHROMATOGRAPHY: RETENTION_TIME 70.627524 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10923 XCMS groupid (grpid): 397 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10924 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10925 PK$NUM_PEAK: 11 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10926 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10927 101.525428771973 4244.95068359375 26.63 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10928 119.048828125 4152.005859375 26.04 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10929 123.043998718262 4032.08984375 25.29 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10930 124.907073974609 4038.091796875 25.33 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10931 130.359146118164 3944.45581054688 24.74 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10932 136.075454711914 9064.216796875 56.86 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10933 150.716735839844 4027.36254882812 25.26 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10934 165.054809570312 15942.01171875 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10935 285.324310302734 4988.541015625 31.29 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10936 313.157501220703 6084.83349609375 38.17 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10937 329.386474609375 3902.72241210938 24.48 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10938 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10939 RECORD_TITLE: MZ:317.1815 | RT:69.2 | grpid:407 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10940 MS$FOCUSED_ION: PRECURSOR_M/Z 317.181549072266 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10941 AC$CHROMATOGRAPHY: RETENTION_TIME 69.154026 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10942 XCMS groupid (grpid): 407 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10943 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10944 PK$NUM_PEAK: 38 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10945 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10946 100.000617980957 2764.93823242188 1.39 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10947 101.071342468262 52776.33203125 26.46 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10948 110.060340881348 24591.759765625 12.33 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10949 116.03458404541 7157.07080078125 3.59 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10950 118.086532592773 152523.0625 76.46 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10951 125.355590820312 2952.05908203125 1.48 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10952 127.08674621582 14919.6650390625 7.48 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10953 129.065933227539 16939.873046875 8.49 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10954 129.10237121582 7230.80224609375 3.62 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10955 129.56950378418 3229.58862304688 1.62 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10956 131.117965698242 30788.45703125 15.43 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10957 133.050811767578 7192.8984375 3.61 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10958 133.060806274414 179811.671875 90.14 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10959 138.091247558594 16915.5078125 8.48 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10960 143.117614746094 6017.39697265625 3.02 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10961 154.09748840332 199481.4375 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10962 154.110397338867 6653.892578125 3.34 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10963 155.015762329102 4930.830078125 2.47 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10964 155.081466674805 134560.96875 67.46 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10965 155.117370605469 11757.0791015625 5.89 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10966 157.133438110352 94024.890625 47.13 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10967 172.10791015625 36266.9609375 18.18 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10968 182.092483520508 98820.796875 49.54 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10969 182.128387451172 56813.08203125 28.48 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10970 183.076568603516 32172.50390625 16.13 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10971 183.112655639648 61549.1640625 30.85 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10972 185.128265380859 24880.546875 12.47 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10973 186.087173461914 34429.53125 17.26 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10974 187.071228027344 90435.7109375 45.34 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10975 189.123641967773 17734.556640625 8.89 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10976 200.103057861328 19847.759765625 9.95 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10977 200.138961791992 14177.5244140625 7.11 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10978 204.097778320312 75055.6953125 37.63 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10979 208.096878051758 5119.6318359375 2.57 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10980 210.124572753906 14695.6591796875 7.37 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10981 225.123199462891 4797.7587890625 2.41 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10982 245.35807800293 3679.95971679688 1.84 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10983 299.171508789062 68947.8515625 34.56 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10984 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10985 RECORD_TITLE: MZ:317.1815 | RT:69.2 | grpid:407 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10986 MS$FOCUSED_ION: PRECURSOR_M/Z 317.181549072266 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10987 AC$CHROMATOGRAPHY: RETENTION_TIME 69.154026 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10988 XCMS groupid (grpid): 407 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10989 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10990 PK$NUM_PEAK: 38 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10991 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10992 100.000617980957 2764.93823242188 1.39 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10993 101.071342468262 52776.33203125 26.46 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10994 110.060340881348 24591.759765625 12.33 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10995 116.03458404541 7157.07080078125 3.59 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10996 118.086532592773 152523.0625 76.46 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10997 125.355590820312 2952.05908203125 1.48 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10998 127.08674621582 14919.6650390625 7.48 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10999 129.065933227539 16939.873046875 8.49 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11000 129.10237121582 7230.80224609375 3.62 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11001 129.56950378418 3229.58862304688 1.62 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11002 131.117965698242 30788.45703125 15.43 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11003 133.050811767578 7192.8984375 3.61 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11004 133.060806274414 179811.671875 90.14 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11005 138.091247558594 16915.5078125 8.48 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11006 143.117614746094 6017.39697265625 3.02 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11007 154.09748840332 199481.4375 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11008 154.110397338867 6653.892578125 3.34 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11009 155.015762329102 4930.830078125 2.47 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11010 155.081466674805 134560.96875 67.46 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11011 155.117370605469 11757.0791015625 5.89 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11012 157.133438110352 94024.890625 47.13 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11013 172.10791015625 36266.9609375 18.18 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11014 182.092483520508 98820.796875 49.54 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11015 182.128387451172 56813.08203125 28.48 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11016 183.076568603516 32172.50390625 16.13 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11017 183.112655639648 61549.1640625 30.85 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11018 185.128265380859 24880.546875 12.47 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11019 186.087173461914 34429.53125 17.26 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11020 187.071228027344 90435.7109375 45.34 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11021 189.123641967773 17734.556640625 8.89 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11022 200.103057861328 19847.759765625 9.95 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11023 200.138961791992 14177.5244140625 7.11 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11024 204.097778320312 75055.6953125 37.63 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11025 208.096878051758 5119.6318359375 2.57 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11026 210.124572753906 14695.6591796875 7.37 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11027 225.123199462891 4797.7587890625 2.41 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11028 245.35807800293 3679.95971679688 1.84 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11029 299.171508789062 68947.8515625 34.56 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11030 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11031 RECORD_TITLE: MZ:317.1816 | RT:69.2 | grpid:407 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11032 MS$FOCUSED_ION: PRECURSOR_M/Z 317.181579589844 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11033 AC$CHROMATOGRAPHY: RETENTION_TIME 69.154026 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11034 XCMS groupid (grpid): 407 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11035 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11036 PK$NUM_PEAK: 31 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11037 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11038 111.924682617188 2987.87060546875 3.08 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11039 113.071136474609 3521.54345703125 3.63 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11040 113.107749938965 4745.8115234375 4.89 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11041 124.039489746094 95420.796875 98.42 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11042 124.0751953125 5830.203125 6.01 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11043 129.101776123047 3119.015625 3.22 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11044 131.11848449707 4818.95849609375 4.97 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11045 138.091110229492 6620.54248046875 6.83 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11046 141.065505981445 5540.62353515625 5.71 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11047 141.102127075195 18097.263671875 18.67 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11048 141.112274169922 3000.49243164062 3.09 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11049 143.118316650391 3364.10595703125 3.47 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11050 145.060546875 39804.20703125 41.05 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11051 155.11799621582 6513.82421875 6.72 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11052 155.152099609375 3026.45239257812 3.12 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11053 158.092193603516 6244.7109375 6.44 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11054 169.060424804688 5067.861328125 5.23 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11055 170.044631958008 96956.9140625 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11056 178.415512084961 2798.56494140625 2.89 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11057 183.112548828125 38242.24609375 39.44 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11058 186.087158203125 13992.484375 14.43 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11059 187.071395874023 86284.703125 88.99 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11060 196.948913574219 2996.55834960938 3.09 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11061 200.139266967773 18511.640625 19.09 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11062 201.124221801758 4613.8994140625 4.76 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11063 204.09782409668 78093.296875 80.54 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11064 211.107757568359 18789.5859375 19.38 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11065 228.134841918945 26519.537109375 27.35 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11066 255.133773803711 6747.7666015625 6.96 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11067 272.159423828125 10641.6845703125 10.98 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11068 317.116455078125 4209.64306640625 4.34 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11069 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11070 RECORD_TITLE: MZ:317.1816 | RT:69.2 | grpid:407 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11071 MS$FOCUSED_ION: PRECURSOR_M/Z 317.181579589844 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11072 AC$CHROMATOGRAPHY: RETENTION_TIME 69.154026 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11073 XCMS groupid (grpid): 407 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11074 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11075 PK$NUM_PEAK: 31 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11076 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11077 111.924682617188 2987.87060546875 3.08 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11078 113.071136474609 3521.54345703125 3.63 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11079 113.107749938965 4745.8115234375 4.89 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11080 124.039489746094 95420.796875 98.42 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11081 124.0751953125 5830.203125 6.01 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11082 129.101776123047 3119.015625 3.22 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11083 131.11848449707 4818.95849609375 4.97 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11084 138.091110229492 6620.54248046875 6.83 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11085 141.065505981445 5540.62353515625 5.71 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11086 141.102127075195 18097.263671875 18.67 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11087 141.112274169922 3000.49243164062 3.09 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11088 143.118316650391 3364.10595703125 3.47 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11089 145.060546875 39804.20703125 41.05 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11090 155.11799621582 6513.82421875 6.72 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11091 155.152099609375 3026.45239257812 3.12 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11092 158.092193603516 6244.7109375 6.44 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11093 169.060424804688 5067.861328125 5.23 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11094 170.044631958008 96956.9140625 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11095 178.415512084961 2798.56494140625 2.89 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11096 183.112548828125 38242.24609375 39.44 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11097 186.087158203125 13992.484375 14.43 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11098 187.071395874023 86284.703125 88.99 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11099 196.948913574219 2996.55834960938 3.09 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11100 200.139266967773 18511.640625 19.09 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11101 201.124221801758 4613.8994140625 4.76 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11102 204.09782409668 78093.296875 80.54 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11103 211.107757568359 18789.5859375 19.38 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11104 228.134841918945 26519.537109375 27.35 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11105 255.133773803711 6747.7666015625 6.96 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11106 272.159423828125 10641.6845703125 10.98 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11107 317.116455078125 4209.64306640625 4.34 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11108 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11109 RECORD_TITLE: MZ:320.1811 | RT:62.9 | grpid:415 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11110 MS$FOCUSED_ION: PRECURSOR_M/Z 320.181091308594 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11111 AC$CHROMATOGRAPHY: RETENTION_TIME 62.924034 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11112 XCMS groupid (grpid): 415 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11113 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11114 PK$NUM_PEAK: 30 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11115 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11116 101.071365356445 281855.375 20.7 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11117 101.206703186035 3570.3681640625 0.26 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11118 102.055252075195 27374.044921875 2.01 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11119 108.080657958984 4892.19140625 0.36 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11120 110.096794128418 54158.46875 3.98 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11121 110.366577148438 3414.05200195312 0.25 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11122 112.076057434082 25181.931640625 1.85 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11123 112.1123046875 27374.921875 2.01 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11124 120.065795898438 58136.41796875 4.27 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11125 122.827262878418 3484.9326171875 0.26 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11126 128.107086181641 210197.671875 15.44 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11127 129.102355957031 82072.0234375 6.03 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11128 130.049896240234 16937.451171875 1.24 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11129 138.091171264648 7357.27392578125 0.54 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11130 142.122650146484 7350.7763671875 0.54 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11131 155.117385864258 29359.177734375 2.16 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11132 157.097015380859 3848.41821289062 0.28 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11133 173.128433227539 1361521.5 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11134 185.092910766602 3295.83618164062 0.24 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11135 187.14387512207 13825.490234375 1.02 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11136 189.085006713867 4207.75341796875 0.31 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11137 196.677001953125 3836.27905273438 0.28 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11138 201.123336791992 135561.265625 9.96 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11139 201.141998291016 4870.205078125 0.36 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11140 207.098205566406 13862.3974609375 1.02 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11141 219.133499145508 21399.53125 1.57 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11142 221.113983154297 5093.689453125 0.37 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11143 241.118682861328 6213.60546875 0.46 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11144 259.129089355469 6648.86767578125 0.49 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11145 302.170257568359 15380.2099609375 1.13 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11146 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11147 RECORD_TITLE: MZ:320.1811 | RT:62.9 | grpid:415 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11148 MS$FOCUSED_ION: PRECURSOR_M/Z 320.181091308594 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11149 AC$CHROMATOGRAPHY: RETENTION_TIME 62.924034 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11150 XCMS groupid (grpid): 415 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11151 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11152 PK$NUM_PEAK: 30 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11153 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11154 101.071365356445 281855.375 20.7 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11155 101.206703186035 3570.3681640625 0.26 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11156 102.055252075195 27374.044921875 2.01 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11157 108.080657958984 4892.19140625 0.36 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11158 110.096794128418 54158.46875 3.98 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11159 110.366577148438 3414.05200195312 0.25 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11160 112.076057434082 25181.931640625 1.85 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11161 112.1123046875 27374.921875 2.01 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11162 120.065795898438 58136.41796875 4.27 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11163 122.827262878418 3484.9326171875 0.26 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11164 128.107086181641 210197.671875 15.44 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11165 129.102355957031 82072.0234375 6.03 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11166 130.049896240234 16937.451171875 1.24 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11167 138.091171264648 7357.27392578125 0.54 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11168 142.122650146484 7350.7763671875 0.54 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11169 155.117385864258 29359.177734375 2.16 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11170 157.097015380859 3848.41821289062 0.28 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11171 173.128433227539 1361521.5 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11172 185.092910766602 3295.83618164062 0.24 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11173 187.14387512207 13825.490234375 1.02 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11174 189.085006713867 4207.75341796875 0.31 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11175 196.677001953125 3836.27905273438 0.28 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11176 201.123336791992 135561.265625 9.96 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11177 201.141998291016 4870.205078125 0.36 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11178 207.098205566406 13862.3974609375 1.02 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11179 219.133499145508 21399.53125 1.57 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11180 221.113983154297 5093.689453125 0.37 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11181 241.118682861328 6213.60546875 0.46 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11182 259.129089355469 6648.86767578125 0.49 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11183 302.170257568359 15380.2099609375 1.13 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11184 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11185 RECORD_TITLE: MZ:320.181 | RT:62.9 | grpid:415 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11186 MS$FOCUSED_ION: PRECURSOR_M/Z 320.181030273438 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11187 AC$CHROMATOGRAPHY: RETENTION_TIME 62.924034 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11188 XCMS groupid (grpid): 415 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11189 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11190 PK$NUM_PEAK: 34 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11191 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11192 101.071380615234 2992.677734375 1.5 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11193 110.071418762207 3555.12036132812 1.78 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11194 112.075950622559 47222.296875 23.68 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11195 113.071319580078 5805.10498046875 2.91 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11196 118.08650970459 23935.267578125 12 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11197 130.086380004883 199416.578125 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11198 140.070541381836 5268.96630859375 2.64 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11199 141.065765380859 4294.599609375 2.15 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11200 144.101974487305 3663.02099609375 1.84 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11201 145.727447509766 2849.14697265625 1.43 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11202 155.1181640625 6593.67626953125 3.31 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11203 155.306137084961 2754.38598632812 1.38 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11204 156.077651977539 3957.36669921875 1.98 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11205 157.097442626953 49847.84375 25 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11206 159.076278686523 6903.923828125 3.46 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11207 165.269470214844 2941.64770507812 1.48 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11208 173.128311157227 19430.81640625 9.74 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11209 175.107727050781 91529.421875 45.9 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11210 183.112777709961 4876.37744140625 2.45 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11211 185.092224121094 16714.18359375 8.38 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11212 201.123519897461 11626.5556640625 5.83 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11213 203.102630615234 43762.265625 21.95 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11214 206.069625854492 3313.53002929688 1.66 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11215 212.083724975586 2866.78637695312 1.44 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11216 219.133590698242 34031.0390625 17.07 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11217 224.081085205078 4853.96435546875 2.43 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11218 229.116897583008 2883.51318359375 1.45 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11219 237.601058959961 2892.41748046875 1.45 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11220 258.146148681641 25527.23828125 12.8 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11221 263.309234619141 3296.20361328125 1.65 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11222 304.179077148438 2929.642578125 1.47 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11223 307.448608398438 2918.53735351562 1.46 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11224 320.157135009766 5962.02001953125 2.99 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11225 343.174377441406 4363.37353515625 2.19 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11226 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11227 RECORD_TITLE: MZ:320.181 | RT:62.9 | grpid:415 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11228 MS$FOCUSED_ION: PRECURSOR_M/Z 320.181030273438 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11229 AC$CHROMATOGRAPHY: RETENTION_TIME 62.924034 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11230 XCMS groupid (grpid): 415 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11231 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11232 PK$NUM_PEAK: 34 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11233 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11234 101.071380615234 2992.677734375 1.5 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11235 110.071418762207 3555.12036132812 1.78 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11236 112.075950622559 47222.296875 23.68 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11237 113.071319580078 5805.10498046875 2.91 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11238 118.08650970459 23935.267578125 12 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11239 130.086380004883 199416.578125 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11240 140.070541381836 5268.96630859375 2.64 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11241 141.065765380859 4294.599609375 2.15 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11242 144.101974487305 3663.02099609375 1.84 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11243 145.727447509766 2849.14697265625 1.43 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11244 155.1181640625 6593.67626953125 3.31 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11245 155.306137084961 2754.38598632812 1.38 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11246 156.077651977539 3957.36669921875 1.98 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11247 157.097442626953 49847.84375 25 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11248 159.076278686523 6903.923828125 3.46 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11249 165.269470214844 2941.64770507812 1.48 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11250 173.128311157227 19430.81640625 9.74 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11251 175.107727050781 91529.421875 45.9 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11252 183.112777709961 4876.37744140625 2.45 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11253 185.092224121094 16714.18359375 8.38 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11254 201.123519897461 11626.5556640625 5.83 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11255 203.102630615234 43762.265625 21.95 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11256 206.069625854492 3313.53002929688 1.66 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11257 212.083724975586 2866.78637695312 1.44 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11258 219.133590698242 34031.0390625 17.07 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11259 224.081085205078 4853.96435546875 2.43 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11260 229.116897583008 2883.51318359375 1.45 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11261 237.601058959961 2892.41748046875 1.45 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11262 258.146148681641 25527.23828125 12.8 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11263 263.309234619141 3296.20361328125 1.65 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11264 304.179077148438 2929.642578125 1.47 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11265 307.448608398438 2918.53735351562 1.46 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11266 320.157135009766 5962.02001953125 2.99 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11267 343.174377441406 4363.37353515625 2.19 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11268 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11269 RECORD_TITLE: MZ:320.1811 | RT:63.1 | grpid:415 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11270 MS$FOCUSED_ION: PRECURSOR_M/Z 320.181121826172 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11271 AC$CHROMATOGRAPHY: RETENTION_TIME 63.078168 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11272 XCMS groupid (grpid): 415 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11273 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11274 PK$NUM_PEAK: 32 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11275 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11276 101.071395874023 307345.34375 20 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11277 102.055290222168 22224.041015625 1.45 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11278 108.081634521484 10953.9453125 0.71 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11279 110.096832275391 50952.4140625 3.32 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11280 112.07592010498 23934.275390625 1.56 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11281 112.112701416016 25964.544921875 1.69 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11282 112.67554473877 3376.37451171875 0.22 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11283 120.065811157227 55594.7109375 3.62 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11284 128.10710144043 230023.0625 14.97 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11285 128.354934692383 3170.56494140625 0.21 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11286 129.102340698242 105016.234375 6.83 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11287 130.049789428711 14120.724609375 0.92 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11288 138.090942382812 13147.5576171875 0.86 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11289 142.122909545898 6801.337890625 0.44 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11290 146.079727172852 3270.75537109375 0.21 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11291 155.118057250977 32112.998046875 2.09 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11292 156.100448608398 3721.38208007812 0.24 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11293 157.096954345703 3435.56567382812 0.22 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11294 173.128479003906 1536714.625 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11295 185.091918945312 4123.60888671875 0.27 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11296 185.871612548828 3396.39013671875 0.22 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11297 187.072006225586 5646.04931640625 0.37 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11298 187.14453125 13237.7275390625 0.86 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11299 201.123306274414 163868.921875 10.66 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11300 206.911346435547 3781.48364257812 0.25 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11301 207.097763061523 12926.41796875 0.84 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11302 219.133941650391 16841.45703125 1.1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11303 259.127563476562 6199.59521484375 0.4 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11304 265.652374267578 3211.76806640625 0.21 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11305 276.698638916016 3204.525390625 0.21 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11306 279.226867675781 3227.61767578125 0.21 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11307 302.171600341797 14686.783203125 0.96 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11308 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11309 RECORD_TITLE: MZ:320.1811 | RT:63.1 | grpid:415 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11310 MS$FOCUSED_ION: PRECURSOR_M/Z 320.181121826172 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11311 AC$CHROMATOGRAPHY: RETENTION_TIME 63.078168 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11312 XCMS groupid (grpid): 415 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11313 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11314 PK$NUM_PEAK: 32 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11315 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11316 101.071395874023 307345.34375 20 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11317 102.055290222168 22224.041015625 1.45 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11318 108.081634521484 10953.9453125 0.71 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11319 110.096832275391 50952.4140625 3.32 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11320 112.07592010498 23934.275390625 1.56 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11321 112.112701416016 25964.544921875 1.69 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11322 112.67554473877 3376.37451171875 0.22 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11323 120.065811157227 55594.7109375 3.62 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11324 128.10710144043 230023.0625 14.97 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11325 128.354934692383 3170.56494140625 0.21 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11326 129.102340698242 105016.234375 6.83 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11327 130.049789428711 14120.724609375 0.92 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11328 138.090942382812 13147.5576171875 0.86 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11329 142.122909545898 6801.337890625 0.44 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11330 146.079727172852 3270.75537109375 0.21 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11331 155.118057250977 32112.998046875 2.09 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11332 156.100448608398 3721.38208007812 0.24 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11333 157.096954345703 3435.56567382812 0.22 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11334 173.128479003906 1536714.625 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11335 185.091918945312 4123.60888671875 0.27 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11336 185.871612548828 3396.39013671875 0.22 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11337 187.072006225586 5646.04931640625 0.37 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11338 187.14453125 13237.7275390625 0.86 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11339 201.123306274414 163868.921875 10.66 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11340 206.911346435547 3781.48364257812 0.25 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11341 207.097763061523 12926.41796875 0.84 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11342 219.133941650391 16841.45703125 1.1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11343 259.127563476562 6199.59521484375 0.4 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11344 265.652374267578 3211.76806640625 0.21 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11345 276.698638916016 3204.525390625 0.21 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11346 279.226867675781 3227.61767578125 0.21 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11347 302.171600341797 14686.783203125 0.96 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11348 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11349 RECORD_TITLE: MZ:320.1811 | RT:63.1 | grpid:415 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11350 MS$FOCUSED_ION: PRECURSOR_M/Z 320.181060791016 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11351 AC$CHROMATOGRAPHY: RETENTION_TIME 63.078168 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11352 XCMS groupid (grpid): 415 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11353 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11354 PK$NUM_PEAK: 30 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11355 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11356 100.63224029541 2963.869140625 1.38 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11357 101.071441650391 4505.61083984375 2.09 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11358 110.07160949707 5812.294921875 2.7 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11359 112.076026916504 43871.58984375 20.38 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11360 113.071075439453 3899.54760742188 1.81 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11361 118.086494445801 18225.576171875 8.47 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11362 130.050338745117 4319.12646484375 2.01 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11363 130.086288452148 215253.265625 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11364 131.081161499023 3706.05786132812 1.72 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11365 136.075912475586 3415.15625 1.59 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11366 141.066040039062 5142.6689453125 2.39 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11367 144.102233886719 3282.51245117188 1.52 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11368 155.116928100586 3101.03540039062 1.44 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11369 156.076416015625 4794.39697265625 2.23 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11370 157.097061157227 46115.6640625 21.42 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11371 159.07682800293 12444.0556640625 5.78 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11372 169.59992980957 2906.36572265625 1.35 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11373 171.077926635742 3279.56762695312 1.52 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11374 173.128280639648 27942.880859375 12.98 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11375 175.107559204102 105894.828125 49.2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11376 183.112289428711 5501.28271484375 2.56 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11377 185.092300415039 11217.31640625 5.21 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11378 185.542449951172 2855.73461914062 1.33 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11379 201.123809814453 16164.91015625 7.51 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11380 203.103271484375 37406.94921875 17.38 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11381 219.134399414062 39073.5 18.15 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11382 224.080871582031 4288.7607421875 1.99 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11383 258.145782470703 27850.513671875 12.94 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11384 291.824340820312 2872.27758789062 1.33 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11385 342.055236816406 3642.53344726562 1.69 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11386 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11387 RECORD_TITLE: MZ:320.1811 | RT:63.1 | grpid:415 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11388 MS$FOCUSED_ION: PRECURSOR_M/Z 320.181060791016 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11389 AC$CHROMATOGRAPHY: RETENTION_TIME 63.078168 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11390 XCMS groupid (grpid): 415 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11391 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11392 PK$NUM_PEAK: 30 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11393 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11394 100.63224029541 2963.869140625 1.38 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11395 101.071441650391 4505.61083984375 2.09 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11396 110.07160949707 5812.294921875 2.7 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11397 112.076026916504 43871.58984375 20.38 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11398 113.071075439453 3899.54760742188 1.81 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11399 118.086494445801 18225.576171875 8.47 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11400 130.050338745117 4319.12646484375 2.01 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11401 130.086288452148 215253.265625 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11402 131.081161499023 3706.05786132812 1.72 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11403 136.075912475586 3415.15625 1.59 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11404 141.066040039062 5142.6689453125 2.39 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11405 144.102233886719 3282.51245117188 1.52 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11406 155.116928100586 3101.03540039062 1.44 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11407 156.076416015625 4794.39697265625 2.23 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11408 157.097061157227 46115.6640625 21.42 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11409 159.07682800293 12444.0556640625 5.78 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11410 169.59992980957 2906.36572265625 1.35 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11411 171.077926635742 3279.56762695312 1.52 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11412 173.128280639648 27942.880859375 12.98 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11413 175.107559204102 105894.828125 49.2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11414 183.112289428711 5501.28271484375 2.56 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11415 185.092300415039 11217.31640625 5.21 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11416 185.542449951172 2855.73461914062 1.33 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11417 201.123809814453 16164.91015625 7.51 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11418 203.103271484375 37406.94921875 17.38 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11419 219.134399414062 39073.5 18.15 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11420 224.080871582031 4288.7607421875 1.99 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11421 258.145782470703 27850.513671875 12.94 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11422 291.824340820312 2872.27758789062 1.33 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11423 342.055236816406 3642.53344726562 1.69 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11424 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11425 RECORD_TITLE: MZ:323.0384 | RT:83.4 | grpid:423 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11426 MS$FOCUSED_ION: PRECURSOR_M/Z 323.038360595703 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11427 AC$CHROMATOGRAPHY: RETENTION_TIME 83.441172 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11428 XCMS groupid (grpid): 423 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11429 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11430 PK$NUM_PEAK: 4 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11431 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11432 129.365707397461 3141.83325195312 52.63 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11433 155.72932434082 2785.9228515625 46.67 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11434 190.997634887695 3309.103515625 55.44 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11435 323.039398193359 5969.2158203125 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11436 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11437 RECORD_TITLE: MZ:323.0384 | RT:83.4 | grpid:423 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11438 MS$FOCUSED_ION: PRECURSOR_M/Z 323.038360595703 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11439 AC$CHROMATOGRAPHY: RETENTION_TIME 83.441172 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11440 XCMS groupid (grpid): 423 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11441 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11442 PK$NUM_PEAK: 4 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11443 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11444 129.365707397461 3141.83325195312 52.63 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11445 155.72932434082 2785.9228515625 46.67 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11446 190.997634887695 3309.103515625 55.44 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11447 323.039398193359 5969.2158203125 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11448 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11449 RECORD_TITLE: MZ:323.0384 | RT:84.4 | grpid:423 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11450 MS$FOCUSED_ION: PRECURSOR_M/Z 323.038360595703 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11451 AC$CHROMATOGRAPHY: RETENTION_TIME 84.41529 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11452 XCMS groupid (grpid): 423 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11453 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11454 PK$NUM_PEAK: 7 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11455 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11456 128.50553894043 3386.35693359375 25.58 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11457 153.065856933594 2935.0458984375 22.17 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11458 179.621505737305 2628.43286132812 19.86 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11459 190.996322631836 6637.37841796875 50.14 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11460 256.982543945312 3841.45336914062 29.02 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11461 323.039276123047 13236.58203125 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11462 344.520050048828 3327.75537109375 25.14 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11463 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11464 RECORD_TITLE: MZ:323.0384 | RT:84.4 | grpid:423 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11465 MS$FOCUSED_ION: PRECURSOR_M/Z 323.038360595703 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11466 AC$CHROMATOGRAPHY: RETENTION_TIME 84.41529 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11467 XCMS groupid (grpid): 423 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11468 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11469 PK$NUM_PEAK: 7 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11470 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11471 128.50553894043 3386.35693359375 25.58 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11472 153.065856933594 2935.0458984375 22.17 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11473 179.621505737305 2628.43286132812 19.86 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11474 190.996322631836 6637.37841796875 50.14 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11475 256.982543945312 3841.45336914062 29.02 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11476 323.039276123047 13236.58203125 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11477 344.520050048828 3327.75537109375 25.14 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11478 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11479 RECORD_TITLE: MZ:323.0383 | RT:84.4 | grpid:423 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11480 MS$FOCUSED_ION: PRECURSOR_M/Z 323.038269042969 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11481 AC$CHROMATOGRAPHY: RETENTION_TIME 84.41529 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11482 XCMS groupid (grpid): 423 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11483 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11484 PK$NUM_PEAK: 9 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11485 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11486 106.13370513916 3051.279296875 57.74 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11487 137.635299682617 2781.98217773438 52.65 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11488 144.017776489258 2624.34545898438 49.66 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11489 174.750671386719 2664.54467773438 50.42 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11490 211.282440185547 2709.78198242188 51.28 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11491 212.091339111328 2775.75756835938 52.53 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11492 222.567947387695 2769.4775390625 52.41 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11493 305.012542724609 5284.28857421875 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11494 348.558624267578 3066.99365234375 58.04 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11495 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11496 RECORD_TITLE: MZ:323.0383 | RT:84.4 | grpid:423 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11497 MS$FOCUSED_ION: PRECURSOR_M/Z 323.038269042969 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11498 AC$CHROMATOGRAPHY: RETENTION_TIME 84.41529 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11499 XCMS groupid (grpid): 423 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11500 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11501 PK$NUM_PEAK: 9 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11502 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11503 106.13370513916 3051.279296875 57.74 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11504 137.635299682617 2781.98217773438 52.65 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11505 144.017776489258 2624.34545898438 49.66 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11506 174.750671386719 2664.54467773438 50.42 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11507 211.282440185547 2709.78198242188 51.28 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11508 212.091339111328 2775.75756835938 52.53 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11509 222.567947387695 2769.4775390625 52.41 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11510 305.012542724609 5284.28857421875 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11511 348.558624267578 3066.99365234375 58.04 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11512 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11513 RECORD_TITLE: MZ:326.1472 | RT:97.7 | grpid:429 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11514 MS$FOCUSED_ION: PRECURSOR_M/Z 326.147247314453 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11515 AC$CHROMATOGRAPHY: RETENTION_TIME 97.724058 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11516 XCMS groupid (grpid): 429 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11517 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11518 PK$NUM_PEAK: 8 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11519 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11520 110.071594238281 18136.025390625 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11521 111.771446228027 2785.8037109375 15.36 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11522 117.990272521973 2784.25244140625 15.35 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11523 156.076690673828 14272.5439453125 78.7 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11524 165.825180053711 2898.11499023438 15.98 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11525 202.852157592773 3820.03295898438 21.06 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11526 255.132080078125 4374.06005859375 24.12 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11527 309.125244140625 6484.82861328125 35.76 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11528 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11529 RECORD_TITLE: MZ:326.1472 | RT:97.7 | grpid:429 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11530 MS$FOCUSED_ION: PRECURSOR_M/Z 326.147247314453 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11531 AC$CHROMATOGRAPHY: RETENTION_TIME 97.724058 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11532 XCMS groupid (grpid): 429 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11533 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11534 PK$NUM_PEAK: 8 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11535 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11536 110.071594238281 18136.025390625 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11537 111.771446228027 2785.8037109375 15.36 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11538 117.990272521973 2784.25244140625 15.35 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11539 156.076690673828 14272.5439453125 78.7 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11540 165.825180053711 2898.11499023438 15.98 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11541 202.852157592773 3820.03295898438 21.06 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11542 255.132080078125 4374.06005859375 24.12 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11543 309.125244140625 6484.82861328125 35.76 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11544 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11545 RECORD_TITLE: MZ:332.1812 | RT:65.9 | grpid:443 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11546 MS$FOCUSED_ION: PRECURSOR_M/Z 332.181243896484 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11547 AC$CHROMATOGRAPHY: RETENTION_TIME 65.949288 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11548 XCMS groupid (grpid): 443 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11549 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11550 PK$NUM_PEAK: 18 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11551 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11552 100.559684753418 3718.64868164062 2.77 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11553 102.05542755127 26123.17578125 19.49 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11554 116.071006774902 13162.55859375 9.82 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11555 120.065765380859 12087.9765625 9.02 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11556 130.049896240234 28237.330078125 21.07 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11557 148.060409545898 99050.71875 73.9 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11558 157.133590698242 88280.25 65.86 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11559 171.149139404297 134042.515625 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11560 185.0927734375 6317.00146484375 4.71 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11561 185.128753662109 28217.166015625 21.05 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11562 199.144180297852 18616.892578125 13.89 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11563 201.087066650391 3843.51318359375 2.87 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11564 203.150253295898 18795.044921875 14.02 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11565 215.818923950195 3423.68896484375 2.55 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11566 219.097274780273 66659.25 49.73 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11567 233.113525390625 19939.693359375 14.88 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11568 316.752319335938 3677.53686523438 2.74 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11569 332.191650390625 6762.85791015625 5.05 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11570 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11571 RECORD_TITLE: MZ:332.1812 | RT:65.9 | grpid:443 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11572 MS$FOCUSED_ION: PRECURSOR_M/Z 332.181243896484 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11573 AC$CHROMATOGRAPHY: RETENTION_TIME 65.949288 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11574 XCMS groupid (grpid): 443 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11575 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11576 PK$NUM_PEAK: 18 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11577 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11578 100.559684753418 3718.64868164062 2.77 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11579 102.05542755127 26123.17578125 19.49 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11580 116.071006774902 13162.55859375 9.82 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11581 120.065765380859 12087.9765625 9.02 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11582 130.049896240234 28237.330078125 21.07 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11583 148.060409545898 99050.71875 73.9 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11584 157.133590698242 88280.25 65.86 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11585 171.149139404297 134042.515625 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11586 185.0927734375 6317.00146484375 4.71 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11587 185.128753662109 28217.166015625 21.05 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11588 199.144180297852 18616.892578125 13.89 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11589 201.087066650391 3843.51318359375 2.87 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11590 203.150253295898 18795.044921875 14.02 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11591 215.818923950195 3423.68896484375 2.55 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11592 219.097274780273 66659.25 49.73 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11593 233.113525390625 19939.693359375 14.88 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11594 316.752319335938 3677.53686523438 2.74 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11595 332.191650390625 6762.85791015625 5.05 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11596 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11597 RECORD_TITLE: MZ:332.1811 | RT:65.9 | grpid:443 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11598 MS$FOCUSED_ION: PRECURSOR_M/Z 332.181060791016 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11599 AC$CHROMATOGRAPHY: RETENTION_TIME 65.949288 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11600 XCMS groupid (grpid): 443 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11601 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11602 PK$NUM_PEAK: 15 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11603 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11604 102.05541229248 52506.98828125 44.84 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11605 109.076324462891 6153.2685546875 5.26 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11606 136.087371826172 3486.95043945312 2.98 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11607 148.061279296875 4741.111328125 4.05 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11608 155.081741333008 19205.33984375 16.4 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11609 157.1337890625 15019.685546875 12.83 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11610 169.058395385742 5759.0107421875 4.92 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11611 183.07649230957 3817.49682617188 3.26 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11612 201.0869140625 117091.9296875 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11613 201.104263305664 6399.53955078125 5.47 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11614 204.113250732422 3334.80444335938 2.85 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11615 215.138977050781 87088.8203125 74.38 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11616 219.097640991211 11436.181640625 9.77 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11617 243.134414672852 26365.50390625 22.52 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11618 318.824340820312 3342.03344726562 2.85 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11619 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11620 RECORD_TITLE: MZ:332.1811 | RT:65.9 | grpid:443 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11621 MS$FOCUSED_ION: PRECURSOR_M/Z 332.181060791016 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11622 AC$CHROMATOGRAPHY: RETENTION_TIME 65.949288 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11623 XCMS groupid (grpid): 443 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11624 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11625 PK$NUM_PEAK: 15 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11626 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11627 102.05541229248 52506.98828125 44.84 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11628 109.076324462891 6153.2685546875 5.26 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11629 136.087371826172 3486.95043945312 2.98 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11630 148.061279296875 4741.111328125 4.05 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11631 155.081741333008 19205.33984375 16.4 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11632 157.1337890625 15019.685546875 12.83 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11633 169.058395385742 5759.0107421875 4.92 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11634 183.07649230957 3817.49682617188 3.26 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11635 201.0869140625 117091.9296875 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11636 201.104263305664 6399.53955078125 5.47 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11637 204.113250732422 3334.80444335938 2.85 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11638 215.138977050781 87088.8203125 74.38 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11639 219.097640991211 11436.181640625 9.77 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11640 243.134414672852 26365.50390625 22.52 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11641 318.824340820312 3342.03344726562 2.85 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11642 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11643 RECORD_TITLE: MZ:332.181 | RT:65.9 | grpid:443 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11644 MS$FOCUSED_ION: PRECURSOR_M/Z 332.181030273438 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11645 AC$CHROMATOGRAPHY: RETENTION_TIME 65.949288 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11646 XCMS groupid (grpid): 443 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11647 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11648 PK$NUM_PEAK: 21 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11649 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11650 102.055519104004 6797.51953125 6.65 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11651 102.420440673828 2608.35546875 2.55 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11652 109.076461791992 2799.908203125 2.74 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11653 118.086524963379 44938 43.93 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11654 127.08683013916 16526.87890625 16.16 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11655 129.065704345703 13359.6865234375 13.06 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11656 142.086181640625 12904.6171875 12.62 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11657 143.117889404297 4039.60693359375 3.95 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11658 148.836090087891 2871.474609375 2.81 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11659 152.070220947266 19868.1640625 19.42 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11660 169.097213745117 55278.6171875 54.04 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11661 173.092239379883 6543.8251953125 6.4 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11662 187.10758972168 102290.8046875 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11663 194.981781005859 3355.03881835938 3.28 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11664 197.128479003906 28704.4921875 28.06 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11665 198.076065063477 21773.828125 21.29 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11666 215.102691650391 51711.16015625 50.55 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11667 215.137771606445 21268.103515625 20.79 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11668 233.112884521484 66269.2890625 64.79 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11669 259.901397705078 3126.96142578125 3.06 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11670 265.669219970703 3109.36840820312 3.04 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11671 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11672 RECORD_TITLE: MZ:332.181 | RT:65.9 | grpid:443 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11673 MS$FOCUSED_ION: PRECURSOR_M/Z 332.181030273438 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11674 AC$CHROMATOGRAPHY: RETENTION_TIME 65.949288 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11675 XCMS groupid (grpid): 443 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11676 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11677 PK$NUM_PEAK: 21 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11678 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11679 102.055519104004 6797.51953125 6.65 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11680 102.420440673828 2608.35546875 2.55 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11681 109.076461791992 2799.908203125 2.74 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11682 118.086524963379 44938 43.93 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11683 127.08683013916 16526.87890625 16.16 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11684 129.065704345703 13359.6865234375 13.06 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11685 142.086181640625 12904.6171875 12.62 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11686 143.117889404297 4039.60693359375 3.95 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11687 148.836090087891 2871.474609375 2.81 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11688 152.070220947266 19868.1640625 19.42 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11689 169.097213745117 55278.6171875 54.04 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11690 173.092239379883 6543.8251953125 6.4 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11691 187.10758972168 102290.8046875 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11692 194.981781005859 3355.03881835938 3.28 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11693 197.128479003906 28704.4921875 28.06 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11694 198.076065063477 21773.828125 21.29 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11695 215.102691650391 51711.16015625 50.55 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11696 215.137771606445 21268.103515625 20.79 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11697 233.112884521484 66269.2890625 64.79 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11698 259.901397705078 3126.96142578125 3.06 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11699 265.669219970703 3109.36840820312 3.04 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11700 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11701 RECORD_TITLE: MZ:332.1002 | RT:127.7 | grpid:443 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11702 MS$FOCUSED_ION: PRECURSOR_M/Z 332.100189208984 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11703 AC$CHROMATOGRAPHY: RETENTION_TIME 127.720194 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11704 XCMS groupid (grpid): 443 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11705 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11706 PK$NUM_PEAK: 5 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11707 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11708 124.921501159668 2787.30419921875 82.57 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11709 130.83171081543 2762.00854492188 81.83 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11710 136.59423828125 2854.00708007812 84.55 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11711 145.657409667969 2890.59912109375 85.63 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11712 215.693115234375 3375.4921875 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11713 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11714 RECORD_TITLE: MZ:332.1002 | RT:127.7 | grpid:443 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11715 MS$FOCUSED_ION: PRECURSOR_M/Z 332.100189208984 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11716 AC$CHROMATOGRAPHY: RETENTION_TIME 127.720194 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11717 XCMS groupid (grpid): 443 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11718 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11719 PK$NUM_PEAK: 5 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11720 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11721 124.921501159668 2787.30419921875 82.57 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11722 130.83171081543 2762.00854492188 81.83 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11723 136.59423828125 2854.00708007812 84.55 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11724 145.657409667969 2890.59912109375 85.63 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11725 215.693115234375 3375.4921875 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11726 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11727 RECORD_TITLE: MZ:332.1812 | RT:66.1 | grpid:443 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11728 MS$FOCUSED_ION: PRECURSOR_M/Z 332.181213378906 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11729 AC$CHROMATOGRAPHY: RETENTION_TIME 66.147648 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11730 XCMS groupid (grpid): 443 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11731 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11732 PK$NUM_PEAK: 21 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11733 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11734 102.055389404297 43917.640625 27.43 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11735 116.071266174316 3441.60864257812 2.15 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11736 120.066108703613 6721.34130859375 4.2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11737 130.049896240234 44563.1484375 27.84 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11738 140.071151733398 4148.013671875 2.59 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11739 140.829498291016 3129.73681640625 1.96 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11740 148.060455322266 145551.5625 90.92 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11741 157.133605957031 146843.640625 91.73 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11742 157.146484375 5521.52978515625 3.45 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11743 171.14924621582 160079.421875 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11744 184.060195922852 4940.064453125 3.09 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11745 185.09196472168 5715.46435546875 3.57 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11746 185.128387451172 36109.0546875 22.56 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11747 199.144058227539 17213.208984375 10.75 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11748 201.087432861328 12005.2353515625 7.5 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11749 203.150924682617 6211.09521484375 3.88 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11750 219.097793579102 77444.078125 48.38 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11751 227.102386474609 3936.34204101562 2.46 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11752 233.113830566406 20265.533203125 12.66 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11753 298.115844726562 3825.31762695312 2.39 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11754 332.199829101562 3429.04418945312 2.14 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11755 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11756 RECORD_TITLE: MZ:332.1812 | RT:66.1 | grpid:443 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11757 MS$FOCUSED_ION: PRECURSOR_M/Z 332.181213378906 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11758 AC$CHROMATOGRAPHY: RETENTION_TIME 66.147648 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11759 XCMS groupid (grpid): 443 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11760 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11761 PK$NUM_PEAK: 21 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11762 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11763 102.055389404297 43917.640625 27.43 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11764 116.071266174316 3441.60864257812 2.15 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11765 120.066108703613 6721.34130859375 4.2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11766 130.049896240234 44563.1484375 27.84 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11767 140.071151733398 4148.013671875 2.59 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11768 140.829498291016 3129.73681640625 1.96 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11769 148.060455322266 145551.5625 90.92 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11770 157.133605957031 146843.640625 91.73 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11771 157.146484375 5521.52978515625 3.45 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11772 171.14924621582 160079.421875 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11773 184.060195922852 4940.064453125 3.09 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11774 185.09196472168 5715.46435546875 3.57 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11775 185.128387451172 36109.0546875 22.56 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11776 199.144058227539 17213.208984375 10.75 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11777 201.087432861328 12005.2353515625 7.5 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11778 203.150924682617 6211.09521484375 3.88 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11779 219.097793579102 77444.078125 48.38 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11780 227.102386474609 3936.34204101562 2.46 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11781 233.113830566406 20265.533203125 12.66 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11782 298.115844726562 3825.31762695312 2.39 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11783 332.199829101562 3429.04418945312 2.14 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11784 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11785 RECORD_TITLE: MZ:332.1811 | RT:66.1 | grpid:443 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11786 MS$FOCUSED_ION: PRECURSOR_M/Z 332.181121826172 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11787 AC$CHROMATOGRAPHY: RETENTION_TIME 66.147648 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11788 XCMS groupid (grpid): 443 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11789 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11790 PK$NUM_PEAK: 27 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11791 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11792 102.055480957031 11927.3154296875 9.12 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11793 105.358688354492 2841.67114257812 2.17 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11794 109.076042175293 3352.17016601562 2.56 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11795 109.422027587891 2987.10595703125 2.28 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11796 118.086517333984 51992.14453125 39.76 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11797 124.075668334961 4488.03173828125 3.43 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11798 127.086639404297 20077.3359375 15.35 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11799 129.066329956055 18427.6796875 14.09 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11800 130.049621582031 3793.5986328125 2.9 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11801 135.495620727539 3620.70703125 2.77 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11802 142.086608886719 12002.59765625 9.18 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11803 143.117889404297 12222.8271484375 9.35 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11804 152.070755004883 19160.861328125 14.65 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11805 155.081619262695 3889.33154296875 2.97 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11806 157.133712768555 5972.533203125 4.57 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11807 169.097152709961 60246.09765625 46.08 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11808 173.091720581055 13068.966796875 9.99 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11809 174.117126464844 3465.36962890625 2.65 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11810 187.107635498047 130756.265625 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11811 197.128967285156 38092.42578125 29.13 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11812 198.07633972168 20238.03515625 15.48 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11813 211.571395874023 3015.64916992188 2.31 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11814 215.10237121582 65438.9921875 50.05 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11815 215.138122558594 29687.029296875 22.7 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11816 233.113311767578 68994.71875 52.77 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11817 316.371520996094 3379.04663085938 2.58 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11818 347.046173095703 3459.23193359375 2.65 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11819 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11820 RECORD_TITLE: MZ:332.1811 | RT:66.1 | grpid:443 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11821 MS$FOCUSED_ION: PRECURSOR_M/Z 332.181121826172 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11822 AC$CHROMATOGRAPHY: RETENTION_TIME 66.147648 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11823 XCMS groupid (grpid): 443 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11824 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11825 PK$NUM_PEAK: 27 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11826 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11827 102.055480957031 11927.3154296875 9.12 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11828 105.358688354492 2841.67114257812 2.17 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11829 109.076042175293 3352.17016601562 2.56 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11830 109.422027587891 2987.10595703125 2.28 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11831 118.086517333984 51992.14453125 39.76 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11832 124.075668334961 4488.03173828125 3.43 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11833 127.086639404297 20077.3359375 15.35 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11834 129.066329956055 18427.6796875 14.09 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11835 130.049621582031 3793.5986328125 2.9 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11836 135.495620727539 3620.70703125 2.77 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11837 142.086608886719 12002.59765625 9.18 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11838 143.117889404297 12222.8271484375 9.35 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11839 152.070755004883 19160.861328125 14.65 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11840 155.081619262695 3889.33154296875 2.97 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11841 157.133712768555 5972.533203125 4.57 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11842 169.097152709961 60246.09765625 46.08 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11843 173.091720581055 13068.966796875 9.99 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11844 174.117126464844 3465.36962890625 2.65 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11845 187.107635498047 130756.265625 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11846 197.128967285156 38092.42578125 29.13 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11847 198.07633972168 20238.03515625 15.48 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11848 211.571395874023 3015.64916992188 2.31 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11849 215.10237121582 65438.9921875 50.05 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11850 215.138122558594 29687.029296875 22.7 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11851 233.113311767578 68994.71875 52.77 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11852 316.371520996094 3379.04663085938 2.58 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11853 347.046173095703 3459.23193359375 2.65 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11854 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11855 RECORD_TITLE: MZ:332.1003 | RT:128 | grpid:443 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11856 MS$FOCUSED_ION: PRECURSOR_M/Z 332.100311279297 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11857 AC$CHROMATOGRAPHY: RETENTION_TIME 127.98057 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11858 XCMS groupid (grpid): 443 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11859 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11860 PK$NUM_PEAK: 6 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11861 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11862 107.337799072266 3200.95288085938 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11863 121.272087097168 2818.72631835938 88.06 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11864 140.474029541016 2970.421875 92.8 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11865 180.650238037109 3080.52490234375 96.24 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11866 262.043762207031 2794.6884765625 87.31 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11867 353.14501953125 3135.12060546875 97.94 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11868 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11869 RECORD_TITLE: MZ:332.1003 | RT:128 | grpid:443 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11870 MS$FOCUSED_ION: PRECURSOR_M/Z 332.100311279297 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11871 AC$CHROMATOGRAPHY: RETENTION_TIME 127.98057 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11872 XCMS groupid (grpid): 443 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11873 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11874 PK$NUM_PEAK: 6 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11875 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11876 107.337799072266 3200.95288085938 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11877 121.272087097168 2818.72631835938 88.06 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11878 140.474029541016 2970.421875 92.8 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11879 180.650238037109 3080.52490234375 96.24 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11880 262.043762207031 2794.6884765625 87.31 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11881 353.14501953125 3135.12060546875 97.94 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11882 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11883 RECORD_TITLE: MZ:334.1393 | RT:121.6 | grpid:450 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11884 MS$FOCUSED_ION: PRECURSOR_M/Z 334.139282226562 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11885 AC$CHROMATOGRAPHY: RETENTION_TIME 121.56708 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11886 XCMS groupid (grpid): 450 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11887 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11888 PK$NUM_PEAK: 30 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11889 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11890 102.055374145508 34924.125 6.12 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11891 115.054656982422 6235.50390625 1.09 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11892 117.057525634766 7535.74072265625 1.32 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11893 117.070014953613 3981.421875 0.7 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11894 118.06526184082 3313.49340820312 0.58 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11895 130.050109863281 5298.71533203125 0.93 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11896 130.065170288086 154406.5 27.04 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11897 132.08088684082 241756.265625 42.34 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11898 132.654556274414 3404.462890625 0.6 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11899 142.065338134766 21583.1640625 3.78 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11900 144.080795288086 226135.8125 39.61 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11901 146.03205871582 3363.439453125 0.59 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11902 148.061050415039 5300.45068359375 0.93 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11903 159.091644287109 570973.625 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11904 160.075546264648 34526.1875 6.05 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11905 170.059982299805 211147.203125 36.98 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11906 172.07551574707 4901.2236328125 0.86 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11907 182.887130737305 3075.35620117188 0.54 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11908 185.055389404297 3717.88793945312 0.65 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11909 187.143936157227 3376.67846679688 0.59 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11910 188.070907592773 6617.0166015625 1.16 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11911 194.829803466797 3063.95654296875 0.54 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11912 200.221343994141 3180.76538085938 0.56 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11913 271.107147216797 3924.17333984375 0.69 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11914 290.107299804688 6318.23876953125 1.11 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11915 292.225799560547 2910.02954101562 0.51 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11916 299.102294921875 15727.2548828125 2.75 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11917 317.113159179688 89027.9609375 15.59 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11918 326.211242675781 3113.96240234375 0.55 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11919 347.064605712891 3606.46557617188 0.63 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11920 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11921 RECORD_TITLE: MZ:334.1393 | RT:121.6 | grpid:450 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11922 MS$FOCUSED_ION: PRECURSOR_M/Z 334.139282226562 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11923 AC$CHROMATOGRAPHY: RETENTION_TIME 121.56708 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11924 XCMS groupid (grpid): 450 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11925 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11926 PK$NUM_PEAK: 30 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11927 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11928 102.055374145508 34924.125 6.12 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11929 115.054656982422 6235.50390625 1.09 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11930 117.057525634766 7535.74072265625 1.32 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11931 117.070014953613 3981.421875 0.7 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11932 118.06526184082 3313.49340820312 0.58 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11933 130.050109863281 5298.71533203125 0.93 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11934 130.065170288086 154406.5 27.04 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11935 132.08088684082 241756.265625 42.34 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11936 132.654556274414 3404.462890625 0.6 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11937 142.065338134766 21583.1640625 3.78 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11938 144.080795288086 226135.8125 39.61 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11939 146.03205871582 3363.439453125 0.59 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11940 148.061050415039 5300.45068359375 0.93 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11941 159.091644287109 570973.625 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11942 160.075546264648 34526.1875 6.05 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11943 170.059982299805 211147.203125 36.98 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11944 172.07551574707 4901.2236328125 0.86 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11945 182.887130737305 3075.35620117188 0.54 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11946 185.055389404297 3717.88793945312 0.65 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11947 187.143936157227 3376.67846679688 0.59 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11948 188.070907592773 6617.0166015625 1.16 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11949 194.829803466797 3063.95654296875 0.54 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11950 200.221343994141 3180.76538085938 0.56 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11951 271.107147216797 3924.17333984375 0.69 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11952 290.107299804688 6318.23876953125 1.11 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11953 292.225799560547 2910.02954101562 0.51 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11954 299.102294921875 15727.2548828125 2.75 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11955 317.113159179688 89027.9609375 15.59 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11956 326.211242675781 3113.96240234375 0.55 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11957 347.064605712891 3606.46557617188 0.63 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11958 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11959 RECORD_TITLE: MZ:334.1393 | RT:121.6 | grpid:450 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11960 MS$FOCUSED_ION: PRECURSOR_M/Z 334.139251708984 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11961 AC$CHROMATOGRAPHY: RETENTION_TIME 121.56708 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11962 XCMS groupid (grpid): 450 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11963 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11964 PK$NUM_PEAK: 13 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11965 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11966 105.638916015625 2670.29809570312 18.95 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11967 130.162689208984 3056.7685546875 21.69 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11968 132.071838378906 3012.13842773438 21.38 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11969 132.081344604492 6932.2431640625 49.2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11970 144.081237792969 3206.34838867188 22.76 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11971 159.091720581055 14090.1435546875 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11972 160.095016479492 10559.4853515625 74.94 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11973 161.097595214844 4805.8994140625 34.11 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11974 170.158843994141 3004.7626953125 21.33 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11975 237.655975341797 2828.33325195312 20.07 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11976 278.594848632812 3003.77319335938 21.32 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11977 319.119873046875 3982.1943359375 28.26 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11978 341.972106933594 3192.58032226562 22.66 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11979 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11980 RECORD_TITLE: MZ:334.1393 | RT:121.6 | grpid:450 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11981 MS$FOCUSED_ION: PRECURSOR_M/Z 334.139251708984 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11982 AC$CHROMATOGRAPHY: RETENTION_TIME 121.56708 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11983 XCMS groupid (grpid): 450 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11984 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11985 PK$NUM_PEAK: 13 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11986 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11987 105.638916015625 2670.29809570312 18.95 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11988 130.162689208984 3056.7685546875 21.69 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11989 132.071838378906 3012.13842773438 21.38 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11990 132.081344604492 6932.2431640625 49.2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11991 144.081237792969 3206.34838867188 22.76 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11992 159.091720581055 14090.1435546875 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11993 160.095016479492 10559.4853515625 74.94 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11994 161.097595214844 4805.8994140625 34.11 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11995 170.158843994141 3004.7626953125 21.33 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11996 237.655975341797 2828.33325195312 20.07 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11997 278.594848632812 3003.77319335938 21.32 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11998 319.119873046875 3982.1943359375 28.26 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11999 341.972106933594 3192.58032226562 22.66 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12000 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12001 RECORD_TITLE: MZ:334.1393 | RT:121.8 | grpid:450 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12002 MS$FOCUSED_ION: PRECURSOR_M/Z 334.139343261719 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12003 AC$CHROMATOGRAPHY: RETENTION_TIME 121.840812 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12004 XCMS groupid (grpid): 450 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12005 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12006 PK$NUM_PEAK: 25 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12007 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12008 102.039459228516 3126.5771484375 0.87 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12009 102.05541229248 22925.572265625 6.37 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12010 115.054595947266 4878.6552734375 1.36 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12011 117.05744934082 4621.91650390625 1.28 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12012 130.050003051758 4437.884765625 1.23 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12013 130.065124511719 96286.6640625 26.76 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12014 132.080841064453 156089.21875 43.37 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12015 142.065338134766 25176.822265625 7 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12016 142.121871948242 2997.10668945312 0.83 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12017 144.08073425293 147070.765625 40.87 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12018 156.029846191406 3091.78295898438 0.86 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12019 159.091674804688 359873.875 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12020 160.075439453125 19693.373046875 5.47 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12021 170.059936523438 126897.40625 35.26 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12022 175.081741333008 3287.94970703125 0.91 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12023 185.056060791016 4413.828125 1.23 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12024 187.143753051758 3404.30590820312 0.95 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12025 188.07096862793 4698.71533203125 1.31 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12026 211.62971496582 2979.23071289062 0.83 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12027 243.971221923828 3058.2705078125 0.85 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12028 267.561004638672 3180.29345703125 0.88 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12029 275.105682373047 4434.3291015625 1.23 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12030 290.108581542969 7415.12744140625 2.06 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12031 299.102355957031 15771.7763671875 4.38 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12032 317.112731933594 53765.765625 14.94 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12033 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12034 RECORD_TITLE: MZ:334.1393 | RT:121.8 | grpid:450 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12035 MS$FOCUSED_ION: PRECURSOR_M/Z 334.139343261719 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12036 AC$CHROMATOGRAPHY: RETENTION_TIME 121.840812 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12037 XCMS groupid (grpid): 450 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12038 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12039 PK$NUM_PEAK: 25 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12040 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12041 102.039459228516 3126.5771484375 0.87 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12042 102.05541229248 22925.572265625 6.37 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12043 115.054595947266 4878.6552734375 1.36 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12044 117.05744934082 4621.91650390625 1.28 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12045 130.050003051758 4437.884765625 1.23 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12046 130.065124511719 96286.6640625 26.76 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12047 132.080841064453 156089.21875 43.37 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12048 142.065338134766 25176.822265625 7 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12049 142.121871948242 2997.10668945312 0.83 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12050 144.08073425293 147070.765625 40.87 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12051 156.029846191406 3091.78295898438 0.86 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12052 159.091674804688 359873.875 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12053 160.075439453125 19693.373046875 5.47 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12054 170.059936523438 126897.40625 35.26 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12055 175.081741333008 3287.94970703125 0.91 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12056 185.056060791016 4413.828125 1.23 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12057 187.143753051758 3404.30590820312 0.95 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12058 188.07096862793 4698.71533203125 1.31 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12059 211.62971496582 2979.23071289062 0.83 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12060 243.971221923828 3058.2705078125 0.85 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12061 267.561004638672 3180.29345703125 0.88 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12062 275.105682373047 4434.3291015625 1.23 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12063 290.108581542969 7415.12744140625 2.06 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12064 299.102355957031 15771.7763671875 4.38 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12065 317.112731933594 53765.765625 14.94 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12066 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12067 RECORD_TITLE: MZ:334.1392 | RT:121.8 | grpid:450 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12068 MS$FOCUSED_ION: PRECURSOR_M/Z 334.139221191406 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12069 AC$CHROMATOGRAPHY: RETENTION_TIME 121.840812 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12070 XCMS groupid (grpid): 450 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12071 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12072 PK$NUM_PEAK: 10 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12073 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12074 130.064987182617 3957.09008789062 23.93 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12075 132.081146240234 5052.8193359375 30.56 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12076 134.146469116211 3342.78857421875 20.22 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12077 144.081100463867 6675.05908203125 40.37 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12078 159.091766357422 16535.984375 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12079 160.094833374023 12418.2783203125 75.1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12080 170.059799194336 3234.10571289062 19.56 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12081 171.062759399414 3257.57153320312 19.7 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12082 237.822662353516 3933.26025390625 23.79 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12083 331.68310546875 3073.66259765625 18.59 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12084 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12085 RECORD_TITLE: MZ:334.1392 | RT:121.8 | grpid:450 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12086 MS$FOCUSED_ION: PRECURSOR_M/Z 334.139221191406 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12087 AC$CHROMATOGRAPHY: RETENTION_TIME 121.840812 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12088 XCMS groupid (grpid): 450 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12089 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12090 PK$NUM_PEAK: 10 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12091 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12092 130.064987182617 3957.09008789062 23.93 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12093 132.081146240234 5052.8193359375 30.56 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12094 134.146469116211 3342.78857421875 20.22 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12095 144.081100463867 6675.05908203125 40.37 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12096 159.091766357422 16535.984375 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12097 160.094833374023 12418.2783203125 75.1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12098 170.059799194336 3234.10571289062 19.56 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12099 171.062759399414 3257.57153320312 19.7 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12100 237.822662353516 3933.26025390625 23.79 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12101 331.68310546875 3073.66259765625 18.59 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12102 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12103 RECORD_TITLE: MZ:335.0734 | RT:37.1 | grpid:451 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12104 MS$FOCUSED_ION: PRECURSOR_M/Z 335.073364257812 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12105 AC$CHROMATOGRAPHY: RETENTION_TIME 37.1197878 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12106 XCMS groupid (grpid): 451 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12107 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12108 PK$NUM_PEAK: 23 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12109 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12110 109.028854370117 77211.3671875 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12111 112.417579650879 2861.51879882812 3.71 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12112 116.994819641113 14928.2919921875 19.33 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12113 120.833572387695 2670.53662109375 3.46 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12114 124.93717956543 4491.90380859375 5.82 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12115 127.038955688477 18605.169921875 24.1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12116 140.010711669922 17025.10546875 22.05 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12117 142.948211669922 6705.46044921875 8.68 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12118 145.049789428711 6557.4921875 8.49 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12119 162.45671081543 3080.2978515625 3.99 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12120 163.060287475586 22311.455078125 28.9 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12121 164.930374145508 42782.25390625 55.41 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12122 173.020812988281 63736.734375 82.55 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12123 178.944793701172 22036.150390625 28.54 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12124 215.009567260742 14709.431640625 19.05 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12125 218.967132568359 51529.28515625 66.74 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12126 236.957992553711 29484.544921875 38.19 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12127 244.980163574219 4468.62158203125 5.79 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12128 261.036590576172 47865.4765625 61.99 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12129 273.154998779297 3246.16064453125 4.2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12130 276.924835205078 5296.65771484375 6.86 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12131 316.950531005859 7445.36279296875 9.64 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12132 335.071899414062 3603.01391601562 4.67 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12133 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12134 RECORD_TITLE: MZ:335.0734 | RT:37.1 | grpid:451 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12135 MS$FOCUSED_ION: PRECURSOR_M/Z 335.073364257812 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12136 AC$CHROMATOGRAPHY: RETENTION_TIME 37.1197878 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12137 XCMS groupid (grpid): 451 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12138 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12139 PK$NUM_PEAK: 23 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12140 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12141 109.028854370117 77211.3671875 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12142 112.417579650879 2861.51879882812 3.71 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12143 116.994819641113 14928.2919921875 19.33 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12144 120.833572387695 2670.53662109375 3.46 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12145 124.93717956543 4491.90380859375 5.82 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12146 127.038955688477 18605.169921875 24.1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12147 140.010711669922 17025.10546875 22.05 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12148 142.948211669922 6705.46044921875 8.68 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12149 145.049789428711 6557.4921875 8.49 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12150 162.45671081543 3080.2978515625 3.99 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12151 163.060287475586 22311.455078125 28.9 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12152 164.930374145508 42782.25390625 55.41 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12153 173.020812988281 63736.734375 82.55 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12154 178.944793701172 22036.150390625 28.54 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12155 215.009567260742 14709.431640625 19.05 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12156 218.967132568359 51529.28515625 66.74 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12157 236.957992553711 29484.544921875 38.19 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12158 244.980163574219 4468.62158203125 5.79 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12159 261.036590576172 47865.4765625 61.99 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12160 273.154998779297 3246.16064453125 4.2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12161 276.924835205078 5296.65771484375 6.86 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12162 316.950531005859 7445.36279296875 9.64 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12163 335.071899414062 3603.01391601562 4.67 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12164 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12165 RECORD_TITLE: MZ:347.192 | RT:78 | grpid:479 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12166 MS$FOCUSED_ION: PRECURSOR_M/Z 347.192047119141 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12167 AC$CHROMATOGRAPHY: RETENTION_TIME 78.035046 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12168 XCMS groupid (grpid): 479 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12169 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12170 PK$NUM_PEAK: 41 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12171 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12172 101.071395874023 36722.35546875 38.71 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12173 102.055473327637 12178.884765625 12.84 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12174 104.107437133789 3611.51147460938 3.81 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12175 106.050285339355 66337.3125 69.93 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12176 116.034309387207 5426.02001953125 5.72 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12177 117.102752685547 27565.560546875 29.06 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12178 120.065902709961 29009.529296875 30.58 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12179 126.055541992188 13872.5205078125 14.62 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12180 129.066314697266 6067.94677734375 6.4 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12181 129.102447509766 14015.0029296875 14.77 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12182 130.050277709961 6952.18408203125 7.33 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12183 131.118026733398 88652.1171875 93.45 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12184 131.743316650391 3037.6884765625 3.2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12185 138.055160522461 25798.439453125 27.19 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12186 138.091445922852 6596.6171875 6.95 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12187 147.075805664062 5174.88916015625 5.45 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12188 166.086776733398 19900.91015625 20.98 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12189 173.128143310547 3893.62866210938 4.1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12190 182.128631591797 30412.494140625 32.06 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12191 183.113128662109 33628.2265625 35.45 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12192 183.127197265625 4881.974609375 5.15 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12193 194.08171081543 3527.17700195312 3.72 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12194 197.129364013672 3868.83959960938 4.08 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12195 198.087432861328 3675.75659179688 3.87 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12196 199.071380615234 18248.08203125 19.24 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12197 200.139343261719 6621.89208984375 6.98 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12198 208.097366333008 19597.248046875 20.66 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12199 210.124145507812 4820.18994140625 5.08 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12200 211.107498168945 7448.48388671875 7.85 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12201 213.084991455078 5254.2373046875 5.54 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12202 216.097595214844 94867.9609375 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12203 217.081848144531 54060.87109375 56.99 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12204 225.123306274414 20626.63671875 21.74 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12205 228.134155273438 7546.26806640625 7.95 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12206 230.114303588867 20103.36328125 21.19 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12207 231.097717285156 5764.61865234375 6.08 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12208 234.108108520508 13473.4130859375 14.2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12209 242.150268554688 25836.65625 27.23 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12210 273.754791259766 3415.47680664062 3.6 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12211 329.180480957031 4035.25463867188 4.25 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12212 347.135772705078 4032.771484375 4.25 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12213 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12214 RECORD_TITLE: MZ:347.192 | RT:78 | grpid:479 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12215 MS$FOCUSED_ION: PRECURSOR_M/Z 347.192047119141 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12216 AC$CHROMATOGRAPHY: RETENTION_TIME 78.035046 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12217 XCMS groupid (grpid): 479 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12218 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12219 PK$NUM_PEAK: 41 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12220 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12221 101.071395874023 36722.35546875 38.71 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12222 102.055473327637 12178.884765625 12.84 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12223 104.107437133789 3611.51147460938 3.81 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12224 106.050285339355 66337.3125 69.93 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12225 116.034309387207 5426.02001953125 5.72 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12226 117.102752685547 27565.560546875 29.06 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12227 120.065902709961 29009.529296875 30.58 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12228 126.055541992188 13872.5205078125 14.62 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12229 129.066314697266 6067.94677734375 6.4 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12230 129.102447509766 14015.0029296875 14.77 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12231 130.050277709961 6952.18408203125 7.33 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12232 131.118026733398 88652.1171875 93.45 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12233 131.743316650391 3037.6884765625 3.2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12234 138.055160522461 25798.439453125 27.19 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12235 138.091445922852 6596.6171875 6.95 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12236 147.075805664062 5174.88916015625 5.45 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12237 166.086776733398 19900.91015625 20.98 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12238 173.128143310547 3893.62866210938 4.1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12239 182.128631591797 30412.494140625 32.06 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12240 183.113128662109 33628.2265625 35.45 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12241 183.127197265625 4881.974609375 5.15 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12242 194.08171081543 3527.17700195312 3.72 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12243 197.129364013672 3868.83959960938 4.08 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12244 198.087432861328 3675.75659179688 3.87 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12245 199.071380615234 18248.08203125 19.24 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12246 200.139343261719 6621.89208984375 6.98 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12247 208.097366333008 19597.248046875 20.66 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12248 210.124145507812 4820.18994140625 5.08 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12249 211.107498168945 7448.48388671875 7.85 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12250 213.084991455078 5254.2373046875 5.54 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12251 216.097595214844 94867.9609375 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12252 217.081848144531 54060.87109375 56.99 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12253 225.123306274414 20626.63671875 21.74 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12254 228.134155273438 7546.26806640625 7.95 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12255 230.114303588867 20103.36328125 21.19 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12256 231.097717285156 5764.61865234375 6.08 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12257 234.108108520508 13473.4130859375 14.2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12258 242.150268554688 25836.65625 27.23 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12259 273.754791259766 3415.47680664062 3.6 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12260 329.180480957031 4035.25463867188 4.25 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12261 347.135772705078 4032.771484375 4.25 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12262 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12263 RECORD_TITLE: MZ:347.1921 | RT:78 | grpid:479 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12264 MS$FOCUSED_ION: PRECURSOR_M/Z 347.192077636719 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12265 AC$CHROMATOGRAPHY: RETENTION_TIME 78.035046 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12266 XCMS groupid (grpid): 479 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12267 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12268 PK$NUM_PEAK: 32 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12269 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12270 101.071617126465 5398.6298828125 0.58 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12271 103.723625183105 3265.326171875 0.35 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12272 111.991218566895 2874.86499023438 0.31 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12273 113.259422302246 3109.1875 0.33 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12274 118.086029052734 11762.2548828125 1.26 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12275 119.081771850586 53567.3359375 5.73 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12276 129.102493286133 6082.703125 0.65 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12277 130.050003051758 17961.625 1.92 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12278 131.117706298828 5159.43408203125 0.55 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12279 133.060852050781 20302.984375 2.17 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12280 136.06184387207 934707.875 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12281 137.046966552734 4568.6171875 0.49 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12282 140.070251464844 5176.26806640625 0.55 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12283 142.1220703125 7424.966796875 0.79 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12284 147.076477050781 32539.701171875 3.48 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12285 167.910797119141 3329.25659179688 0.36 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12286 183.113388061523 4327.50830078125 0.46 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12287 184.108337402344 3478.05834960938 0.37 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12288 187.144195556641 13290.1728515625 1.42 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12289 195.076766967773 7138.642578125 0.76 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12290 199.071472167969 6982.3671875 0.75 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12291 202.115982055664 3711.18725585938 0.4 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12292 212.10383605957 5277.38427734375 0.56 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12293 216.096878051758 4186.36376953125 0.45 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12294 217.082321166992 12990.05078125 1.39 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12295 228.134292602539 7821.84130859375 0.84 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12296 229.116607666016 4174.86865234375 0.45 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12297 230.113189697266 12964.26171875 1.39 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12298 234.108322143555 22444.685546875 2.4 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12299 269.112457275391 13442.9560546875 1.44 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12300 348.072723388672 3934.16088867188 0.42 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12301 358.842193603516 3603.02954101562 0.39 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12302 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12303 RECORD_TITLE: MZ:347.1921 | RT:78 | grpid:479 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12304 MS$FOCUSED_ION: PRECURSOR_M/Z 347.192077636719 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12305 AC$CHROMATOGRAPHY: RETENTION_TIME 78.035046 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12306 XCMS groupid (grpid): 479 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12307 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12308 PK$NUM_PEAK: 32 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12309 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12310 101.071617126465 5398.6298828125 0.58 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12311 103.723625183105 3265.326171875 0.35 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12312 111.991218566895 2874.86499023438 0.31 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12313 113.259422302246 3109.1875 0.33 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12314 118.086029052734 11762.2548828125 1.26 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12315 119.081771850586 53567.3359375 5.73 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12316 129.102493286133 6082.703125 0.65 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12317 130.050003051758 17961.625 1.92 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12318 131.117706298828 5159.43408203125 0.55 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12319 133.060852050781 20302.984375 2.17 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12320 136.06184387207 934707.875 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12321 137.046966552734 4568.6171875 0.49 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12322 140.070251464844 5176.26806640625 0.55 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12323 142.1220703125 7424.966796875 0.79 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12324 147.076477050781 32539.701171875 3.48 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12325 167.910797119141 3329.25659179688 0.36 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12326 183.113388061523 4327.50830078125 0.46 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12327 184.108337402344 3478.05834960938 0.37 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12328 187.144195556641 13290.1728515625 1.42 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12329 195.076766967773 7138.642578125 0.76 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12330 199.071472167969 6982.3671875 0.75 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12331 202.115982055664 3711.18725585938 0.4 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12332 212.10383605957 5277.38427734375 0.56 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12333 216.096878051758 4186.36376953125 0.45 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12334 217.082321166992 12990.05078125 1.39 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12335 228.134292602539 7821.84130859375 0.84 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12336 229.116607666016 4174.86865234375 0.45 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12337 230.113189697266 12964.26171875 1.39 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12338 234.108322143555 22444.685546875 2.4 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12339 269.112457275391 13442.9560546875 1.44 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12340 348.072723388672 3934.16088867188 0.42 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12341 358.842193603516 3603.02954101562 0.39 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12342 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12343 RECORD_TITLE: MZ:347.1919 | RT:78 | grpid:479 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12344 MS$FOCUSED_ION: PRECURSOR_M/Z 347.19189453125 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12345 AC$CHROMATOGRAPHY: RETENTION_TIME 78.035046 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12346 XCMS groupid (grpid): 479 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12347 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12348 PK$NUM_PEAK: 59 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12349 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12350 101.071342468262 67131.6328125 17.67 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12351 102.055252075195 18796.11328125 4.95 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12352 106.050277709961 218794.21875 57.58 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12353 107.104606628418 3064.73291015625 0.81 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12354 111.055686950684 5306.08056640625 1.4 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12355 112.039695739746 5410.03271484375 1.42 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12356 113.071922302246 4417.6298828125 1.16 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12357 113.107406616211 7651.3349609375 2.01 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12358 114.091529846191 5093.830078125 1.34 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12359 119.027992248535 6032.75927734375 1.59 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12360 120.065956115723 40173.86328125 10.57 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12361 124.075370788574 4468.697265625 1.18 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12362 128.082244873047 4350.3779296875 1.14 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12363 129.065994262695 243434.0625 64.07 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12364 130.049896240234 130006.5703125 34.22 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12365 133.060409545898 5034.31005859375 1.32 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12366 136.039566040039 28325.84765625 7.46 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12367 136.061645507812 90744.3984375 23.88 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12368 138.091384887695 21720.21875 5.72 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12369 141.066055297852 5526.537109375 1.45 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12370 141.102294921875 26923.265625 7.09 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12371 151.798751831055 3289.8720703125 0.87 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12372 152.106582641602 33480.94140625 8.81 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12373 154.049896240234 29585.576171875 7.79 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12374 155.11784362793 6869.15380859375 1.81 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12375 157.060882568359 18561.748046875 4.89 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12376 159.015686035156 4429.44482421875 1.17 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12377 169.133438110352 55480.6015625 14.6 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12378 169.832992553711 3083.3857421875 0.81 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12379 171.075607299805 24928.0234375 6.56 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12380 175.071258544922 15648 4.12 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12381 182.044784545898 8141.91845703125 2.14 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12382 183.112915039062 74347.671875 19.57 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12383 194.226165771484 4062.87719726562 1.07 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12384 196.144393920898 379956.46875 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12385 197.128433227539 314344.34375 82.73 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12386 199.071014404297 33875.81640625 8.92 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12387 200.05534362793 33817.63671875 8.9 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12388 200.139053344727 27133.689453125 7.14 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12389 201.124450683594 5969.89599609375 1.57 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12390 211.107559204102 38467.1484375 10.12 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12391 214.154907226562 130225.1640625 34.27 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12392 216.097686767578 139561.578125 36.73 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12393 217.081802368164 187585.0625 49.37 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12394 218.983703613281 3276.4619140625 0.86 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12395 224.139099121094 70138.0625 18.46 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12396 225.123611450195 23002.673828125 6.05 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12397 228.134658813477 36220.44140625 9.53 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12398 234.108627319336 62702.76171875 16.5 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12399 242.150985717773 8458.8427734375 2.23 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12400 243.134872436523 3988.93627929688 1.05 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12401 254.144836425781 4191.40625 1.1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12402 294.081909179688 3502.19140625 0.92 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12403 311.171295166016 4969.04345703125 1.31 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12404 312.155426025391 13118.77734375 3.45 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12405 329.181610107422 60851.21484375 16.02 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12406 330.166595458984 7788.13623046875 2.05 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12407 337.523315429688 3762.87573242188 0.99 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12408 347.136596679688 4138.767578125 1.09 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12409 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12410 RECORD_TITLE: MZ:347.1919 | RT:78 | grpid:479 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12411 MS$FOCUSED_ION: PRECURSOR_M/Z 347.19189453125 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12412 AC$CHROMATOGRAPHY: RETENTION_TIME 78.035046 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12413 XCMS groupid (grpid): 479 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12414 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12415 PK$NUM_PEAK: 59 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12416 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12417 101.071342468262 67131.6328125 17.67 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12418 102.055252075195 18796.11328125 4.95 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12419 106.050277709961 218794.21875 57.58 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12420 107.104606628418 3064.73291015625 0.81 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12421 111.055686950684 5306.08056640625 1.4 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12422 112.039695739746 5410.03271484375 1.42 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12423 113.071922302246 4417.6298828125 1.16 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12424 113.107406616211 7651.3349609375 2.01 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12425 114.091529846191 5093.830078125 1.34 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12426 119.027992248535 6032.75927734375 1.59 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12427 120.065956115723 40173.86328125 10.57 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12428 124.075370788574 4468.697265625 1.18 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12429 128.082244873047 4350.3779296875 1.14 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12430 129.065994262695 243434.0625 64.07 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12431 130.049896240234 130006.5703125 34.22 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12432 133.060409545898 5034.31005859375 1.32 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12433 136.039566040039 28325.84765625 7.46 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12434 136.061645507812 90744.3984375 23.88 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12435 138.091384887695 21720.21875 5.72 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12436 141.066055297852 5526.537109375 1.45 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12437 141.102294921875 26923.265625 7.09 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12438 151.798751831055 3289.8720703125 0.87 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12439 152.106582641602 33480.94140625 8.81 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12440 154.049896240234 29585.576171875 7.79 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12441 155.11784362793 6869.15380859375 1.81 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12442 157.060882568359 18561.748046875 4.89 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12443 159.015686035156 4429.44482421875 1.17 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12444 169.133438110352 55480.6015625 14.6 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12445 169.832992553711 3083.3857421875 0.81 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12446 171.075607299805 24928.0234375 6.56 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12447 175.071258544922 15648 4.12 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12448 182.044784545898 8141.91845703125 2.14 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12449 183.112915039062 74347.671875 19.57 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12450 194.226165771484 4062.87719726562 1.07 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12451 196.144393920898 379956.46875 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12452 197.128433227539 314344.34375 82.73 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12453 199.071014404297 33875.81640625 8.92 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12454 200.05534362793 33817.63671875 8.9 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12455 200.139053344727 27133.689453125 7.14 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12456 201.124450683594 5969.89599609375 1.57 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12457 211.107559204102 38467.1484375 10.12 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12458 214.154907226562 130225.1640625 34.27 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12459 216.097686767578 139561.578125 36.73 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12460 217.081802368164 187585.0625 49.37 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12461 218.983703613281 3276.4619140625 0.86 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12462 224.139099121094 70138.0625 18.46 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12463 225.123611450195 23002.673828125 6.05 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12464 228.134658813477 36220.44140625 9.53 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12465 234.108627319336 62702.76171875 16.5 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12466 242.150985717773 8458.8427734375 2.23 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12467 243.134872436523 3988.93627929688 1.05 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12468 254.144836425781 4191.40625 1.1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12469 294.081909179688 3502.19140625 0.92 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12470 311.171295166016 4969.04345703125 1.31 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12471 312.155426025391 13118.77734375 3.45 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12472 329.181610107422 60851.21484375 16.02 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12473 330.166595458984 7788.13623046875 2.05 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12474 337.523315429688 3762.87573242188 0.99 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12475 347.136596679688 4138.767578125 1.09 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12476 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12477 RECORD_TITLE: MZ:347.1921 | RT:78 | grpid:479 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12478 MS$FOCUSED_ION: PRECURSOR_M/Z 347.192138671875 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12479 AC$CHROMATOGRAPHY: RETENTION_TIME 78.035046 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12480 XCMS groupid (grpid): 479 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12481 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12482 PK$NUM_PEAK: 37 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12483 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12484 101.071487426758 40989.35546875 34.36 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12485 106.050384521484 64746.98046875 54.27 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12486 120.065864562988 4761.80517578125 3.99 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12487 121.520545959473 2847.18041992188 2.39 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12488 129.066116333008 60496.7890625 50.71 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12489 130.050064086914 23598.990234375 19.78 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12490 130.669448852539 3460.10278320312 2.9 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12491 133.060775756836 12427.3515625 10.42 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12492 136.061584472656 27977.552734375 23.45 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12493 142.122940063477 6189.60009765625 5.19 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12494 143.117980957031 15174.6083984375 12.72 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12495 145.9912109375 3175.48364257812 2.66 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12496 147.076156616211 4811.203125 4.03 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12497 152.107345581055 4193.61572265625 3.51 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12498 154.049835205078 4187.4208984375 3.51 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12499 157.061325073242 4259.90673828125 3.57 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12500 159.076675415039 7720.0576171875 6.47 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12501 169.133605957031 13385.06640625 11.22 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12502 171.075302124023 4705.1201171875 3.94 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12503 173.128509521484 17742.390625 14.87 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12504 183.112686157227 21386.86328125 17.93 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12505 187.144302368164 75211.1640625 63.04 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12506 196.144546508789 119310.4921875 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12507 196.161560058594 6113.5751953125 5.12 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12508 197.128448486328 104142.390625 87.29 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12509 199.070983886719 3278.1484375 2.75 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12510 200.05534362793 5266.3837890625 4.41 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12511 214.155090332031 32611.912109375 27.33 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12512 215.13948059082 4107.84912109375 3.44 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12513 216.098419189453 18995.390625 15.92 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12514 217.081909179688 36514.08984375 30.6 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12515 224.139236450195 13932.6943359375 11.68 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12516 225.123077392578 4146.5458984375 3.48 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12517 228.133529663086 2950.7197265625 2.47 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12518 234.108062744141 13047.580078125 10.94 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12519 291.422515869141 3581.61791992188 3 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12520 329.181762695312 16518.06640625 13.84 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12521 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12522 RECORD_TITLE: MZ:347.1921 | RT:78 | grpid:479 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12523 MS$FOCUSED_ION: PRECURSOR_M/Z 347.192138671875 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12524 AC$CHROMATOGRAPHY: RETENTION_TIME 78.035046 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12525 XCMS groupid (grpid): 479 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12526 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12527 PK$NUM_PEAK: 37 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12528 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12529 101.071487426758 40989.35546875 34.36 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12530 106.050384521484 64746.98046875 54.27 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12531 120.065864562988 4761.80517578125 3.99 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12532 121.520545959473 2847.18041992188 2.39 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12533 129.066116333008 60496.7890625 50.71 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12534 130.050064086914 23598.990234375 19.78 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12535 130.669448852539 3460.10278320312 2.9 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12536 133.060775756836 12427.3515625 10.42 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12537 136.061584472656 27977.552734375 23.45 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12538 142.122940063477 6189.60009765625 5.19 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12539 143.117980957031 15174.6083984375 12.72 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12540 145.9912109375 3175.48364257812 2.66 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12541 147.076156616211 4811.203125 4.03 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12542 152.107345581055 4193.61572265625 3.51 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12543 154.049835205078 4187.4208984375 3.51 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12544 157.061325073242 4259.90673828125 3.57 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12545 159.076675415039 7720.0576171875 6.47 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12546 169.133605957031 13385.06640625 11.22 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12547 171.075302124023 4705.1201171875 3.94 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12548 173.128509521484 17742.390625 14.87 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12549 183.112686157227 21386.86328125 17.93 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12550 187.144302368164 75211.1640625 63.04 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12551 196.144546508789 119310.4921875 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12552 196.161560058594 6113.5751953125 5.12 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12553 197.128448486328 104142.390625 87.29 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12554 199.070983886719 3278.1484375 2.75 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12555 200.05534362793 5266.3837890625 4.41 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12556 214.155090332031 32611.912109375 27.33 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12557 215.13948059082 4107.84912109375 3.44 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12558 216.098419189453 18995.390625 15.92 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12559 217.081909179688 36514.08984375 30.6 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12560 224.139236450195 13932.6943359375 11.68 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12561 225.123077392578 4146.5458984375 3.48 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12562 228.133529663086 2950.7197265625 2.47 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12563 234.108062744141 13047.580078125 10.94 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12564 291.422515869141 3581.61791992188 3 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12565 329.181762695312 16518.06640625 13.84 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12566 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12567 RECORD_TITLE: MZ:347.192 | RT:78.2 | grpid:479 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12568 MS$FOCUSED_ION: PRECURSOR_M/Z 347.192016601562 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12569 AC$CHROMATOGRAPHY: RETENTION_TIME 78.227304 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12570 XCMS groupid (grpid): 479 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12571 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12572 PK$NUM_PEAK: 41 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12573 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12574 101.071472167969 45171.87890625 33.5 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12575 102.055595397949 6679.82958984375 4.95 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12576 105.658126831055 3707.39477539062 2.75 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12577 106.050277709961 94428.2109375 70.02 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12578 116.034446716309 5382.24560546875 3.99 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12579 117.102355957031 22969.318359375 17.03 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12580 119.081619262695 15858.53515625 11.76 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12581 120.066009521484 41722.78515625 30.94 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12582 126.055160522461 13486.7880859375 10 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12583 129.066040039062 13209.2607421875 9.8 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12584 129.102676391602 6650.53466796875 4.93 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12585 130.050033569336 6798.6640625 5.04 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12586 131.118011474609 134854.96875 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12587 138.055084228516 22609.16015625 16.77 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12588 138.091369628906 15092.345703125 11.19 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12589 147.077117919922 3462.21313476562 2.57 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12590 154.050765991211 5072.5625 3.76 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12591 155.117828369141 4750.36962890625 3.52 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12592 166.086135864258 24965.6328125 18.51 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12593 171.076461791992 3248.8759765625 2.41 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12594 182.128799438477 40382.1875 29.94 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12595 183.112777709961 39353.09375 29.18 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12596 195.076858520508 3728.78540039062 2.77 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12597 198.087158203125 7683.8017578125 5.7 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12598 199.071533203125 31779.052734375 23.57 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12599 200.139190673828 17975.09765625 13.33 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12600 208.096084594727 23380.4140625 17.34 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12601 210.124420166016 6294.1494140625 4.67 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12602 211.108596801758 4997.61572265625 3.71 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12603 213.086563110352 4341.16455078125 3.22 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12604 216.097839355469 120547.3359375 89.39 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12605 217.081939697266 84208.7109375 62.44 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12606 225.12385559082 34527.33984375 25.6 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12607 228.13459777832 7211.38134765625 5.35 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12608 230.114776611328 6686.7216796875 4.96 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12609 231.098007202148 4702.59814453125 3.49 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12610 234.108520507812 27310.677734375 20.25 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12611 242.149551391602 36058.55078125 26.74 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12612 329.181365966797 6031.48583984375 4.47 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12613 347.132202148438 13041.052734375 9.67 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12614 351.198883056641 3373.9384765625 2.5 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12615 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12616 RECORD_TITLE: MZ:347.192 | RT:78.2 | grpid:479 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12617 MS$FOCUSED_ION: PRECURSOR_M/Z 347.192016601562 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12618 AC$CHROMATOGRAPHY: RETENTION_TIME 78.227304 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12619 XCMS groupid (grpid): 479 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12620 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12621 PK$NUM_PEAK: 41 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12622 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12623 101.071472167969 45171.87890625 33.5 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12624 102.055595397949 6679.82958984375 4.95 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12625 105.658126831055 3707.39477539062 2.75 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12626 106.050277709961 94428.2109375 70.02 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12627 116.034446716309 5382.24560546875 3.99 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12628 117.102355957031 22969.318359375 17.03 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12629 119.081619262695 15858.53515625 11.76 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12630 120.066009521484 41722.78515625 30.94 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12631 126.055160522461 13486.7880859375 10 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12632 129.066040039062 13209.2607421875 9.8 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12633 129.102676391602 6650.53466796875 4.93 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12634 130.050033569336 6798.6640625 5.04 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12635 131.118011474609 134854.96875 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12636 138.055084228516 22609.16015625 16.77 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12637 138.091369628906 15092.345703125 11.19 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12638 147.077117919922 3462.21313476562 2.57 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12639 154.050765991211 5072.5625 3.76 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12640 155.117828369141 4750.36962890625 3.52 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12641 166.086135864258 24965.6328125 18.51 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12642 171.076461791992 3248.8759765625 2.41 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12643 182.128799438477 40382.1875 29.94 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12644 183.112777709961 39353.09375 29.18 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12645 195.076858520508 3728.78540039062 2.77 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12646 198.087158203125 7683.8017578125 5.7 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12647 199.071533203125 31779.052734375 23.57 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12648 200.139190673828 17975.09765625 13.33 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12649 208.096084594727 23380.4140625 17.34 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12650 210.124420166016 6294.1494140625 4.67 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12651 211.108596801758 4997.61572265625 3.71 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12652 213.086563110352 4341.16455078125 3.22 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12653 216.097839355469 120547.3359375 89.39 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12654 217.081939697266 84208.7109375 62.44 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12655 225.12385559082 34527.33984375 25.6 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12656 228.13459777832 7211.38134765625 5.35 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12657 230.114776611328 6686.7216796875 4.96 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12658 231.098007202148 4702.59814453125 3.49 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12659 234.108520507812 27310.677734375 20.25 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12660 242.149551391602 36058.55078125 26.74 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12661 329.181365966797 6031.48583984375 4.47 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12662 347.132202148438 13041.052734375 9.67 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12663 351.198883056641 3373.9384765625 2.5 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12664 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12665 RECORD_TITLE: MZ:347.192 | RT:78.2 | grpid:479 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12666 MS$FOCUSED_ION: PRECURSOR_M/Z 347.191955566406 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12667 AC$CHROMATOGRAPHY: RETENTION_TIME 78.227304 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12668 XCMS groupid (grpid): 479 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12669 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12670 PK$NUM_PEAK: 22 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12671 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12672 118.086494445801 7576.1259765625 0.8 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12673 119.082153320312 26106.646484375 2.77 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12674 130.049880981445 17185.96875 1.82 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12675 131.117950439453 5408.10400390625 0.57 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12676 133.060958862305 27915.302734375 2.96 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12677 136.061828613281 943455.25 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12678 140.070571899414 5643.03369140625 0.6 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12679 142.123306274414 4116.3525390625 0.44 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12680 147.076507568359 25436.30859375 2.7 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12681 174.527114868164 3235.583984375 0.34 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12682 183.112243652344 3094.64013671875 0.33 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12683 183.399597167969 3205.13110351562 0.34 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12684 187.144058227539 6450.958984375 0.68 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12685 194.788650512695 3975.75512695312 0.42 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12686 195.076263427734 5637.611328125 0.6 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12687 199.070770263672 4166.3154296875 0.44 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12688 216.098327636719 7582.521484375 0.8 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12689 217.081878662109 13866.9384765625 1.47 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12690 218.650161743164 3395.4833984375 0.36 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12691 228.134613037109 4603.17626953125 0.49 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12692 230.112823486328 12677.3818359375 1.34 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12693 234.108779907227 24262.263671875 2.57 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12694 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12695 RECORD_TITLE: MZ:347.192 | RT:78.2 | grpid:479 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12696 MS$FOCUSED_ION: PRECURSOR_M/Z 347.191955566406 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12697 AC$CHROMATOGRAPHY: RETENTION_TIME 78.227304 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12698 XCMS groupid (grpid): 479 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12699 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12700 PK$NUM_PEAK: 22 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12701 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12702 118.086494445801 7576.1259765625 0.8 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12703 119.082153320312 26106.646484375 2.77 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12704 130.049880981445 17185.96875 1.82 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12705 131.117950439453 5408.10400390625 0.57 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12706 133.060958862305 27915.302734375 2.96 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12707 136.061828613281 943455.25 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12708 140.070571899414 5643.03369140625 0.6 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12709 142.123306274414 4116.3525390625 0.44 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12710 147.076507568359 25436.30859375 2.7 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12711 174.527114868164 3235.583984375 0.34 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12712 183.112243652344 3094.64013671875 0.33 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12713 183.399597167969 3205.13110351562 0.34 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12714 187.144058227539 6450.958984375 0.68 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12715 194.788650512695 3975.75512695312 0.42 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12716 195.076263427734 5637.611328125 0.6 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12717 199.070770263672 4166.3154296875 0.44 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12718 216.098327636719 7582.521484375 0.8 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12719 217.081878662109 13866.9384765625 1.47 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12720 218.650161743164 3395.4833984375 0.36 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12721 228.134613037109 4603.17626953125 0.49 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12722 230.112823486328 12677.3818359375 1.34 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12723 234.108779907227 24262.263671875 2.57 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12724 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12725 RECORD_TITLE: MZ:347.192 | RT:78.2 | grpid:479 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12726 MS$FOCUSED_ION: PRECURSOR_M/Z 347.192016601562 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12727 AC$CHROMATOGRAPHY: RETENTION_TIME 78.227304 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12728 XCMS groupid (grpid): 479 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12729 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12730 PK$NUM_PEAK: 51 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12731 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12732 101.071464538574 86710.421875 15.64 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12733 102.055419921875 16750.51171875 3.02 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12734 106.050262451172 326808.28125 58.94 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12735 110.024299621582 4180.4189453125 0.75 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12736 111.054672241211 4446.888671875 0.8 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12737 112.03987121582 15317.3837890625 2.76 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12738 113.071136474609 5033.79931640625 0.91 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12739 113.107872009277 7782.1552734375 1.4 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12740 119.027214050293 5185.5869140625 0.94 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12741 120.065795898438 47101.57421875 8.49 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12742 124.076080322266 8508.0908203125 1.53 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12743 124.112075805664 3781.13989257812 0.68 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12744 129.065963745117 336905.34375 60.76 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12745 130.049957275391 153014.78125 27.6 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12746 133.06120300293 4344.95849609375 0.78 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12747 136.039505004883 41360.9375 7.46 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12748 136.061737060547 77739.6875 14.02 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12749 138.090881347656 25728.29296875 4.64 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12750 141.066192626953 19321.017578125 3.48 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12751 141.10237121582 25214.966796875 4.55 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12752 152.106796264648 44305.04296875 7.99 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12753 154.049896240234 38068.2109375 6.87 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12754 155.117980957031 19165.912109375 3.46 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12755 157.060729980469 32097.42578125 5.79 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12756 169.133544921875 71929.4453125 12.97 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12757 171.075973510742 31011.087890625 5.59 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12758 173.128509521484 4554.48291015625 0.82 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12759 175.070938110352 34309.6171875 6.19 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12760 182.044403076172 6395.119140625 1.15 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12761 183.112976074219 83536.6484375 15.07 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12762 196.144378662109 554486.625 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12763 197.128356933594 462486.3125 83.41 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12764 199.071243286133 54419.57421875 9.81 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12765 200.055435180664 47453.04296875 8.56 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12766 200.139434814453 25883.7109375 4.67 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12767 201.124267578125 5971.03466796875 1.08 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12768 211.107833862305 49542.984375 8.93 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12769 214.154830932617 220224.4375 39.72 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12770 216.097778320312 174523.84375 31.47 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12771 217.081726074219 241583.046875 43.57 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12772 219.135192871094 7421.40869140625 1.34 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12773 224.13932800293 100327.328125 18.09 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12774 225.122940063477 34235.1484375 6.17 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12775 228.133651733398 48658.98046875 8.78 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12776 234.107971191406 83230.9140625 15.01 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12777 242.149429321289 16705.0546875 3.01 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12778 243.133178710938 7099.02587890625 1.28 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12779 311.170501708984 15094.2666015625 2.72 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12780 312.156188964844 22827.654296875 4.12 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12781 329.181121826172 67683.03125 12.21 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12782 330.1669921875 13961.8564453125 2.52 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12783 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12784 RECORD_TITLE: MZ:347.192 | RT:78.2 | grpid:479 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12785 MS$FOCUSED_ION: PRECURSOR_M/Z 347.192016601562 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12786 AC$CHROMATOGRAPHY: RETENTION_TIME 78.227304 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12787 XCMS groupid (grpid): 479 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12788 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12789 PK$NUM_PEAK: 51 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12790 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12791 101.071464538574 86710.421875 15.64 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12792 102.055419921875 16750.51171875 3.02 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12793 106.050262451172 326808.28125 58.94 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12794 110.024299621582 4180.4189453125 0.75 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12795 111.054672241211 4446.888671875 0.8 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12796 112.03987121582 15317.3837890625 2.76 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12797 113.071136474609 5033.79931640625 0.91 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12798 113.107872009277 7782.1552734375 1.4 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12799 119.027214050293 5185.5869140625 0.94 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12800 120.065795898438 47101.57421875 8.49 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12801 124.076080322266 8508.0908203125 1.53 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12802 124.112075805664 3781.13989257812 0.68 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12803 129.065963745117 336905.34375 60.76 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12804 130.049957275391 153014.78125 27.6 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12805 133.06120300293 4344.95849609375 0.78 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12806 136.039505004883 41360.9375 7.46 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12807 136.061737060547 77739.6875 14.02 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12808 138.090881347656 25728.29296875 4.64 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12809 141.066192626953 19321.017578125 3.48 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12810 141.10237121582 25214.966796875 4.55 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12811 152.106796264648 44305.04296875 7.99 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12812 154.049896240234 38068.2109375 6.87 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12813 155.117980957031 19165.912109375 3.46 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12814 157.060729980469 32097.42578125 5.79 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12815 169.133544921875 71929.4453125 12.97 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12816 171.075973510742 31011.087890625 5.59 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12817 173.128509521484 4554.48291015625 0.82 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12818 175.070938110352 34309.6171875 6.19 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12819 182.044403076172 6395.119140625 1.15 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12820 183.112976074219 83536.6484375 15.07 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12821 196.144378662109 554486.625 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12822 197.128356933594 462486.3125 83.41 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12823 199.071243286133 54419.57421875 9.81 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12824 200.055435180664 47453.04296875 8.56 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12825 200.139434814453 25883.7109375 4.67 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12826 201.124267578125 5971.03466796875 1.08 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12827 211.107833862305 49542.984375 8.93 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12828 214.154830932617 220224.4375 39.72 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12829 216.097778320312 174523.84375 31.47 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12830 217.081726074219 241583.046875 43.57 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12831 219.135192871094 7421.40869140625 1.34 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12832 224.13932800293 100327.328125 18.09 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12833 225.122940063477 34235.1484375 6.17 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12834 228.133651733398 48658.98046875 8.78 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12835 234.107971191406 83230.9140625 15.01 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12836 242.149429321289 16705.0546875 3.01 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12837 243.133178710938 7099.02587890625 1.28 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12838 311.170501708984 15094.2666015625 2.72 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12839 312.156188964844 22827.654296875 4.12 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12840 329.181121826172 67683.03125 12.21 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12841 330.1669921875 13961.8564453125 2.52 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12842 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12843 RECORD_TITLE: MZ:347.192 | RT:78.2 | grpid:479 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12844 MS$FOCUSED_ION: PRECURSOR_M/Z 347.192047119141 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12845 AC$CHROMATOGRAPHY: RETENTION_TIME 78.227304 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12846 XCMS groupid (grpid): 479 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12847 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12848 PK$NUM_PEAK: 26 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12849 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12850 101.07154083252 23334.921875 33.47 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12851 106.05061340332 21394.607421875 30.69 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12852 120.065376281738 4280.36767578125 6.14 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12853 129.065979003906 17099.861328125 24.53 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12854 129.102569580078 5942.06787109375 8.52 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12855 130.050064086914 69717.953125 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12856 133.060745239258 7111.97705078125 10.2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12857 136.061492919922 23103.876953125 33.14 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12858 142.122909545898 4139.17333984375 5.94 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12859 143.117935180664 6136.169921875 8.8 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12860 147.076324462891 48777.5234375 69.96 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12861 152.10758972168 2652.5576171875 3.8 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12862 159.076309204102 3894.65112304688 5.59 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12863 159.117523193359 3153.248046875 4.52 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12864 169.133316040039 5803.83984375 8.32 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12865 173.128433227539 50936.1328125 73.06 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12866 183.112915039062 5503.88525390625 7.89 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12867 187.144149780273 46521.71484375 66.73 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12868 196.144607543945 42587.3203125 61.09 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12869 197.127639770508 27507.111328125 39.45 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12870 206.147750854492 3143.83666992188 4.51 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12871 214.154968261719 13876.2412109375 19.9 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12872 216.097473144531 6720.2353515625 9.64 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12873 217.081832885742 18838.884765625 27.02 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12874 329.182678222656 4375.25 6.28 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12875 346.2744140625 2887.69140625 4.14 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12876 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12877 RECORD_TITLE: MZ:347.192 | RT:78.2 | grpid:479 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12878 MS$FOCUSED_ION: PRECURSOR_M/Z 347.192047119141 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12879 AC$CHROMATOGRAPHY: RETENTION_TIME 78.227304 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12880 XCMS groupid (grpid): 479 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12881 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12882 PK$NUM_PEAK: 26 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12883 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12884 101.07154083252 23334.921875 33.47 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12885 106.05061340332 21394.607421875 30.69 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12886 120.065376281738 4280.36767578125 6.14 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12887 129.065979003906 17099.861328125 24.53 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12888 129.102569580078 5942.06787109375 8.52 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12889 130.050064086914 69717.953125 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12890 133.060745239258 7111.97705078125 10.2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12891 136.061492919922 23103.876953125 33.14 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12892 142.122909545898 4139.17333984375 5.94 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12893 143.117935180664 6136.169921875 8.8 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12894 147.076324462891 48777.5234375 69.96 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12895 152.10758972168 2652.5576171875 3.8 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12896 159.076309204102 3894.65112304688 5.59 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12897 159.117523193359 3153.248046875 4.52 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12898 169.133316040039 5803.83984375 8.32 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12899 173.128433227539 50936.1328125 73.06 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12900 183.112915039062 5503.88525390625 7.89 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12901 187.144149780273 46521.71484375 66.73 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12902 196.144607543945 42587.3203125 61.09 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12903 197.127639770508 27507.111328125 39.45 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12904 206.147750854492 3143.83666992188 4.51 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12905 214.154968261719 13876.2412109375 19.9 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12906 216.097473144531 6720.2353515625 9.64 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12907 217.081832885742 18838.884765625 27.02 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12908 329.182678222656 4375.25 6.28 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12909 346.2744140625 2887.69140625 4.14 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12910 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12911 RECORD_TITLE: MZ:352.0628 | RT:112 | grpid:488 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12912 MS$FOCUSED_ION: PRECURSOR_M/Z 352.062774658203 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12913 AC$CHROMATOGRAPHY: RETENTION_TIME 111.9768 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12914 XCMS groupid (grpid): 488 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12915 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12916 PK$NUM_PEAK: 15 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12917 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12918 120.081108093262 19078.498046875 10.28 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12919 122.027221679688 185501.0625 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12920 130.050018310547 29379.146484375 15.84 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12921 153.066421508789 5158.45703125 2.78 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12922 177.999237060547 24312.58984375 13.11 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12923 181.060684204102 4925.0029296875 2.65 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12924 185.037384033203 21461.77734375 11.57 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12925 185.331466674805 2902.93334960938 1.56 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12926 195.025527954102 44366.39453125 23.92 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12927 199.071990966797 12222.69140625 6.59 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12928 205.992736816406 3278.5966796875 1.77 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12929 223.020202636719 26858.08203125 14.48 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12930 231.043319702148 73601.2578125 39.68 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12931 266.384307861328 3563.92919921875 1.92 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12932 289.0302734375 11603.8994140625 6.26 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12933 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12934 RECORD_TITLE: MZ:352.0628 | RT:112 | grpid:488 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12935 MS$FOCUSED_ION: PRECURSOR_M/Z 352.062774658203 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12936 AC$CHROMATOGRAPHY: RETENTION_TIME 111.9768 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12937 XCMS groupid (grpid): 488 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12938 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12939 PK$NUM_PEAK: 15 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12940 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12941 120.081108093262 19078.498046875 10.28 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12942 122.027221679688 185501.0625 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12943 130.050018310547 29379.146484375 15.84 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12944 153.066421508789 5158.45703125 2.78 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12945 177.999237060547 24312.58984375 13.11 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12946 181.060684204102 4925.0029296875 2.65 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12947 185.037384033203 21461.77734375 11.57 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12948 185.331466674805 2902.93334960938 1.56 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12949 195.025527954102 44366.39453125 23.92 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12950 199.071990966797 12222.69140625 6.59 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12951 205.992736816406 3278.5966796875 1.77 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12952 223.020202636719 26858.08203125 14.48 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12953 231.043319702148 73601.2578125 39.68 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12954 266.384307861328 3563.92919921875 1.92 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12955 289.0302734375 11603.8994140625 6.26 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12956 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12957 RECORD_TITLE: MZ:352.0627 | RT:112 | grpid:488 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12958 MS$FOCUSED_ION: PRECURSOR_M/Z 352.062713623047 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12959 AC$CHROMATOGRAPHY: RETENTION_TIME 111.9768 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12960 XCMS groupid (grpid): 488 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12961 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12962 PK$NUM_PEAK: 35 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12963 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12964 102.055229187012 4722.8076171875 0.84 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12965 105.000785827637 15800.900390625 2.8 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12966 105.97834777832 17800.91015625 3.16 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12967 116.396644592285 3498.408203125 0.62 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12968 117.996337890625 7769.0283203125 1.38 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12969 120.080894470215 6512.705078125 1.15 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12970 122.027236938477 564074.3125 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12971 130.049987792969 84316.7265625 14.95 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12972 131.99382019043 11271.279296875 2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12973 135.055648803711 4044.79541015625 0.72 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12974 136.03955078125 4179.9140625 0.74 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12975 150.202133178711 3440.91650390625 0.61 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12976 153.065719604492 18287.017578125 3.24 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12977 155.080963134766 7636.154296875 1.35 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12978 158.050842285156 3772.55004882812 0.67 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12979 159.02214050293 5027.697265625 0.89 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12980 163.052917480469 3318.49438476562 0.59 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12981 177.999053955078 89495.515625 15.87 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12982 181.061218261719 16474.798828125 2.92 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12983 185.037887573242 56057.61328125 9.94 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12984 186.023223876953 3176.9111328125 0.56 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12985 188.039093017578 6495.65380859375 1.15 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12986 188.739837646484 3252.92578125 0.58 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12987 195.025665283203 157800.6875 27.98 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12988 199.07080078125 33190.67578125 5.88 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12989 205.994338989258 18838.865234375 3.34 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12990 223.020446777344 80813.4609375 14.33 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12991 225.732055664062 3463.13916015625 0.61 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12992 231.043182373047 218621.484375 38.76 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12993 265.866455078125 3083.97045898438 0.55 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12994 268.054565429688 3065.66162109375 0.54 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12995 268.136962890625 4854.58837890625 0.86 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12996 273.255798339844 3565.61401367188 0.63 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12997 289.029968261719 27259.474609375 4.83 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12998 335.035552978516 6442.3271484375 1.14 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
12999 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13000 RECORD_TITLE: MZ:352.0627 | RT:112 | grpid:488 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13001 MS$FOCUSED_ION: PRECURSOR_M/Z 352.062713623047 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13002 AC$CHROMATOGRAPHY: RETENTION_TIME 111.9768 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13003 XCMS groupid (grpid): 488 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13004 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13005 PK$NUM_PEAK: 35 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13006 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13007 102.055229187012 4722.8076171875 0.84 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13008 105.000785827637 15800.900390625 2.8 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13009 105.97834777832 17800.91015625 3.16 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13010 116.396644592285 3498.408203125 0.62 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13011 117.996337890625 7769.0283203125 1.38 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13012 120.080894470215 6512.705078125 1.15 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13013 122.027236938477 564074.3125 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13014 130.049987792969 84316.7265625 14.95 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13015 131.99382019043 11271.279296875 2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13016 135.055648803711 4044.79541015625 0.72 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13017 136.03955078125 4179.9140625 0.74 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13018 150.202133178711 3440.91650390625 0.61 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13019 153.065719604492 18287.017578125 3.24 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13020 155.080963134766 7636.154296875 1.35 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13021 158.050842285156 3772.55004882812 0.67 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13022 159.02214050293 5027.697265625 0.89 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13023 163.052917480469 3318.49438476562 0.59 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13024 177.999053955078 89495.515625 15.87 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13025 181.061218261719 16474.798828125 2.92 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13026 185.037887573242 56057.61328125 9.94 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13027 186.023223876953 3176.9111328125 0.56 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13028 188.039093017578 6495.65380859375 1.15 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13029 188.739837646484 3252.92578125 0.58 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13030 195.025665283203 157800.6875 27.98 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13031 199.07080078125 33190.67578125 5.88 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13032 205.994338989258 18838.865234375 3.34 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13033 223.020446777344 80813.4609375 14.33 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13034 225.732055664062 3463.13916015625 0.61 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13035 231.043182373047 218621.484375 38.76 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13036 265.866455078125 3083.97045898438 0.55 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13037 268.054565429688 3065.66162109375 0.54 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13038 268.136962890625 4854.58837890625 0.86 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13039 273.255798339844 3565.61401367188 0.63 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13040 289.029968261719 27259.474609375 4.83 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13041 335.035552978516 6442.3271484375 1.14 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13042 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13043 RECORD_TITLE: MZ:352.0627 | RT:112 | grpid:488 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13044 MS$FOCUSED_ION: PRECURSOR_M/Z 352.062683105469 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13045 AC$CHROMATOGRAPHY: RETENTION_TIME 111.9768 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13046 XCMS groupid (grpid): 488 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13047 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13048 PK$NUM_PEAK: 25 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13049 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13050 105.001022338867 16878.21875 3.05 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13051 105.978256225586 14976.3896484375 2.7 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13052 117.995971679688 5842.73388671875 1.06 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13053 122.027229309082 553689.875 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13054 129.065689086914 2971.30639648438 0.54 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13055 130.049880981445 83805.9453125 15.14 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13056 131.994094848633 4093.56030273438 0.74 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13057 133.972747802734 3697.0498046875 0.67 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13058 135.022979736328 3230.50903320312 0.58 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13059 153.065582275391 20278.294921875 3.66 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13060 155.081420898438 21746.15625 3.93 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13061 166.086303710938 4086.62475585938 0.74 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13062 177.999130249023 88241.15625 15.94 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13063 181.060745239258 13317.8837890625 2.41 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13064 185.037841796875 59416.45703125 10.73 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13065 188.037109375 6249.49072265625 1.13 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13066 195.025650024414 155284.953125 28.05 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13067 199.071426391602 32412.115234375 5.85 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13068 205.994262695312 13034.6630859375 2.35 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13069 222.400329589844 3545.125 0.64 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13070 223.020401000977 77419.640625 13.98 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13071 231.043365478516 225713.1875 40.77 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13072 289.031616210938 22910.04296875 4.14 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13073 335.036315917969 5819.75537109375 1.05 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13074 352.064575195312 6418.50390625 1.16 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13075 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13076 RECORD_TITLE: MZ:352.0627 | RT:112 | grpid:488 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13077 MS$FOCUSED_ION: PRECURSOR_M/Z 352.062683105469 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13078 AC$CHROMATOGRAPHY: RETENTION_TIME 111.9768 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13079 XCMS groupid (grpid): 488 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13080 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13081 PK$NUM_PEAK: 25 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13082 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13083 105.001022338867 16878.21875 3.05 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13084 105.978256225586 14976.3896484375 2.7 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13085 117.995971679688 5842.73388671875 1.06 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13086 122.027229309082 553689.875 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13087 129.065689086914 2971.30639648438 0.54 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13088 130.049880981445 83805.9453125 15.14 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13089 131.994094848633 4093.56030273438 0.74 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13090 133.972747802734 3697.0498046875 0.67 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13091 135.022979736328 3230.50903320312 0.58 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13092 153.065582275391 20278.294921875 3.66 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13093 155.081420898438 21746.15625 3.93 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13094 166.086303710938 4086.62475585938 0.74 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13095 177.999130249023 88241.15625 15.94 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13096 181.060745239258 13317.8837890625 2.41 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13097 185.037841796875 59416.45703125 10.73 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13098 188.037109375 6249.49072265625 1.13 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13099 195.025650024414 155284.953125 28.05 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13100 199.071426391602 32412.115234375 5.85 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13101 205.994262695312 13034.6630859375 2.35 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13102 222.400329589844 3545.125 0.64 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13103 223.020401000977 77419.640625 13.98 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13104 231.043365478516 225713.1875 40.77 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13105 289.031616210938 22910.04296875 4.14 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13106 335.036315917969 5819.75537109375 1.05 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13107 352.064575195312 6418.50390625 1.16 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13108 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13109 RECORD_TITLE: MZ:352.0628 | RT:113 | grpid:488 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13110 MS$FOCUSED_ION: PRECURSOR_M/Z 352.062805175781 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13111 AC$CHROMATOGRAPHY: RETENTION_TIME 112.983072 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13112 XCMS groupid (grpid): 488 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13113 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13114 PK$NUM_PEAK: 20 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13115 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13116 102.055809020996 3488.69775390625 2.01 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13117 105.001289367676 3172.0302734375 1.83 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13118 120.081344604492 5174.9794921875 2.99 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13119 122.027267456055 173240.046875 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13120 130.050262451172 24380.9296875 14.07 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13121 153.065902709961 5584.37451171875 3.22 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13122 155.081695556641 4715.3876953125 2.72 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13123 177.998962402344 25719.4296875 14.85 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13124 181.061157226562 4917.1591796875 2.84 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13125 185.038070678711 16913.486328125 9.76 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13126 193.171234130859 3459.65014648438 2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13127 195.025588989258 43515.31640625 25.12 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13128 199.072082519531 12469.6591796875 7.2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13129 205.994735717773 3282.94262695312 1.9 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13130 207.056091308594 3121.9892578125 1.8 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13131 219.052001953125 3069.0732421875 1.77 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13132 223.020645141602 27145.65625 15.67 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13133 231.043487548828 60952.73828125 35.18 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13134 239.811767578125 2879.68359375 1.66 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13135 289.031402587891 3247.91870117188 1.87 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13136 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13137 RECORD_TITLE: MZ:352.0628 | RT:113 | grpid:488 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13138 MS$FOCUSED_ION: PRECURSOR_M/Z 352.062805175781 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13139 AC$CHROMATOGRAPHY: RETENTION_TIME 112.983072 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13140 XCMS groupid (grpid): 488 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13141 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13142 PK$NUM_PEAK: 20 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13143 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13144 102.055809020996 3488.69775390625 2.01 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13145 105.001289367676 3172.0302734375 1.83 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13146 120.081344604492 5174.9794921875 2.99 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13147 122.027267456055 173240.046875 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13148 130.050262451172 24380.9296875 14.07 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13149 153.065902709961 5584.37451171875 3.22 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13150 155.081695556641 4715.3876953125 2.72 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13151 177.998962402344 25719.4296875 14.85 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13152 181.061157226562 4917.1591796875 2.84 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13153 185.038070678711 16913.486328125 9.76 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13154 193.171234130859 3459.65014648438 2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13155 195.025588989258 43515.31640625 25.12 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13156 199.072082519531 12469.6591796875 7.2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13157 205.994735717773 3282.94262695312 1.9 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13158 207.056091308594 3121.9892578125 1.8 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13159 219.052001953125 3069.0732421875 1.77 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13160 223.020645141602 27145.65625 15.67 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13161 231.043487548828 60952.73828125 35.18 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13162 239.811767578125 2879.68359375 1.66 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13163 289.031402587891 3247.91870117188 1.87 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13164 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13165 RECORD_TITLE: MZ:352.0627 | RT:113 | grpid:488 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13166 MS$FOCUSED_ION: PRECURSOR_M/Z 352.062713623047 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13167 AC$CHROMATOGRAPHY: RETENTION_TIME 112.983072 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13168 XCMS groupid (grpid): 488 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13169 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13170 PK$NUM_PEAK: 31 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13171 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13172 102.055686950684 3123.27661132812 0.57 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13173 105.00089263916 16334.1181640625 2.96 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13174 105.97827911377 13701.4443359375 2.48 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13175 107.060569763184 3379.63403320312 0.61 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13176 110.794692993164 2930.36987304688 0.53 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13177 114.001327514648 3706.65502929688 0.67 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13178 117.996109008789 6811.37060546875 1.23 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13179 120.081069946289 21327.310546875 3.86 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13180 122.027244567871 552551.75 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13181 130.050048828125 92269.1328125 16.7 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13182 131.994018554688 4202.173828125 0.76 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13183 136.039596557617 4077.13916015625 0.74 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13184 139.033081054688 4967.91162109375 0.9 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13185 142.0498046875 3693.09912109375 0.67 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13186 153.066314697266 30368.203125 5.5 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13187 155.081451416016 13185.5791015625 2.39 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13188 159.022216796875 3367.44384765625 0.61 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13189 177.999038696289 79399.4765625 14.37 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13190 181.061080932617 6710.4765625 1.21 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13191 185.03791809082 60947.17578125 11.03 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13192 188.038070678711 6062.611328125 1.1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13193 191.39208984375 3390.17407226562 0.61 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13194 195.025695800781 165717.125 29.99 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13195 199.071228027344 30928.1953125 5.6 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13196 205.993865966797 5100.11669921875 0.92 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13197 223.020721435547 73948.546875 13.38 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13198 227.845550537109 4065.17114257812 0.74 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13199 231.04328918457 206556.171875 37.38 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13200 289.031494140625 22851.3984375 4.14 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13201 335.037445068359 12120.7685546875 2.19 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13202 352.063659667969 7431.4755859375 1.34 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13203 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13204 RECORD_TITLE: MZ:352.0627 | RT:113 | grpid:488 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13205 MS$FOCUSED_ION: PRECURSOR_M/Z 352.062713623047 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13206 AC$CHROMATOGRAPHY: RETENTION_TIME 112.983072 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13207 XCMS groupid (grpid): 488 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13208 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13209 PK$NUM_PEAK: 31 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13210 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13211 102.055686950684 3123.27661132812 0.57 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13212 105.00089263916 16334.1181640625 2.96 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13213 105.97827911377 13701.4443359375 2.48 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13214 107.060569763184 3379.63403320312 0.61 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13215 110.794692993164 2930.36987304688 0.53 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13216 114.001327514648 3706.65502929688 0.67 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13217 117.996109008789 6811.37060546875 1.23 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13218 120.081069946289 21327.310546875 3.86 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13219 122.027244567871 552551.75 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13220 130.050048828125 92269.1328125 16.7 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13221 131.994018554688 4202.173828125 0.76 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13222 136.039596557617 4077.13916015625 0.74 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13223 139.033081054688 4967.91162109375 0.9 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13224 142.0498046875 3693.09912109375 0.67 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13225 153.066314697266 30368.203125 5.5 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13226 155.081451416016 13185.5791015625 2.39 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13227 159.022216796875 3367.44384765625 0.61 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13228 177.999038696289 79399.4765625 14.37 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13229 181.061080932617 6710.4765625 1.21 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13230 185.03791809082 60947.17578125 11.03 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13231 188.038070678711 6062.611328125 1.1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13232 191.39208984375 3390.17407226562 0.61 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13233 195.025695800781 165717.125 29.99 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13234 199.071228027344 30928.1953125 5.6 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13235 205.993865966797 5100.11669921875 0.92 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13236 223.020721435547 73948.546875 13.38 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13237 227.845550537109 4065.17114257812 0.74 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13238 231.04328918457 206556.171875 37.38 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13239 289.031494140625 22851.3984375 4.14 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13240 335.037445068359 12120.7685546875 2.19 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13241 352.063659667969 7431.4755859375 1.34 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13242 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13243 RECORD_TITLE: MZ:352.0628 | RT:113 | grpid:488 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13244 MS$FOCUSED_ION: PRECURSOR_M/Z 352.062805175781 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13245 AC$CHROMATOGRAPHY: RETENTION_TIME 112.983072 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13246 XCMS groupid (grpid): 488 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13247 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13248 PK$NUM_PEAK: 36 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13249 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13250 102.055854797363 3649.76806640625 0.58 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13251 105.000877380371 21843.5390625 3.46 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13252 105.978240966797 16929.64453125 2.68 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13253 114.001205444336 5401.21875 0.86 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13254 115.332595825195 2863.03198242188 0.45 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13255 117.995635986328 6680.578125 1.06 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13256 120.929710388184 3742.619140625 0.59 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13257 122.027206420898 630996.9375 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13258 129.065841674805 5467.37353515625 0.87 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13259 130.049880981445 89298.3984375 14.15 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13260 133.97380065918 3322.43627929688 0.53 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13261 147.075790405273 4942.33642578125 0.78 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13262 153.065643310547 21011.271484375 3.33 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13263 155.081329345703 15498.724609375 2.46 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13264 159.021469116211 4183.79833984375 0.66 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13265 166.08576965332 15743.5009765625 2.5 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13266 177.983581542969 3330.93481445312 0.53 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13267 177.998931884766 94394.7890625 14.96 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13268 181.060760498047 15360.033203125 2.43 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13269 182.955184936523 3090.01928710938 0.49 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13270 185.037857055664 70349.6328125 11.15 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13271 186.021575927734 4229.36962890625 0.67 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13272 187.98405456543 6168.15185546875 0.98 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13273 195.025466918945 167427.5 26.53 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13274 196.985687255859 3185.62890625 0.5 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13275 199.071365356445 32294.99609375 5.12 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13276 200.077560424805 3179.97290039062 0.5 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13277 205.993682861328 15178.85546875 2.41 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13278 214.438735961914 3650.29370117188 0.58 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13279 223.020294189453 87710.484375 13.9 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13280 231.043258666992 262361.84375 41.58 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13281 255.20866394043 3233.64282226562 0.51 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13282 265.029479980469 3436.65844726562 0.54 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13283 289.030517578125 27543.3359375 4.37 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13284 335.035797119141 7070.41162109375 1.12 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13285 352.061828613281 13867.8984375 2.2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13286 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13287 RECORD_TITLE: MZ:352.0628 | RT:113 | grpid:488 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13288 MS$FOCUSED_ION: PRECURSOR_M/Z 352.062805175781 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13289 AC$CHROMATOGRAPHY: RETENTION_TIME 112.983072 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13290 XCMS groupid (grpid): 488 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13291 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13292 PK$NUM_PEAK: 36 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13293 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13294 102.055854797363 3649.76806640625 0.58 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13295 105.000877380371 21843.5390625 3.46 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13296 105.978240966797 16929.64453125 2.68 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13297 114.001205444336 5401.21875 0.86 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13298 115.332595825195 2863.03198242188 0.45 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13299 117.995635986328 6680.578125 1.06 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13300 120.929710388184 3742.619140625 0.59 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13301 122.027206420898 630996.9375 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13302 129.065841674805 5467.37353515625 0.87 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13303 130.049880981445 89298.3984375 14.15 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13304 133.97380065918 3322.43627929688 0.53 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13305 147.075790405273 4942.33642578125 0.78 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13306 153.065643310547 21011.271484375 3.33 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13307 155.081329345703 15498.724609375 2.46 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13308 159.021469116211 4183.79833984375 0.66 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13309 166.08576965332 15743.5009765625 2.5 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13310 177.983581542969 3330.93481445312 0.53 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13311 177.998931884766 94394.7890625 14.96 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13312 181.060760498047 15360.033203125 2.43 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13313 182.955184936523 3090.01928710938 0.49 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13314 185.037857055664 70349.6328125 11.15 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13315 186.021575927734 4229.36962890625 0.67 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13316 187.98405456543 6168.15185546875 0.98 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13317 195.025466918945 167427.5 26.53 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13318 196.985687255859 3185.62890625 0.5 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13319 199.071365356445 32294.99609375 5.12 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13320 200.077560424805 3179.97290039062 0.5 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13321 205.993682861328 15178.85546875 2.41 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13322 214.438735961914 3650.29370117188 0.58 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13323 223.020294189453 87710.484375 13.9 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13324 231.043258666992 262361.84375 41.58 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13325 255.20866394043 3233.64282226562 0.51 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13326 265.029479980469 3436.65844726562 0.54 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13327 289.030517578125 27543.3359375 4.37 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13328 335.035797119141 7070.41162109375 1.12 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13329 352.061828613281 13867.8984375 2.2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13330 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13331 RECORD_TITLE: MZ:361.1388 | RT:70.6 | grpid:513 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13332 MS$FOCUSED_ION: PRECURSOR_M/Z 361.138793945312 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13333 AC$CHROMATOGRAPHY: RETENTION_TIME 70.627524 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13334 XCMS groupid (grpid): 513 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13335 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13336 PK$NUM_PEAK: 85 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13337 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13338 100.039588928223 12111.5087890625 4.67 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13339 107.049629211426 4299.3486328125 1.66 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13340 110.023170471191 3329.40161132812 1.28 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13341 113.107704162598 4920.34716796875 1.9 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13342 116.034530639648 7970.45849609375 3.07 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13343 116.070457458496 3458.05126953125 1.33 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13344 116.985847473145 13577.693359375 5.23 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13345 119.073257446289 52893.6640625 20.38 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13346 130.049957275391 20132.3671875 7.76 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13347 133.060897827148 144405.171875 55.65 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13348 134.060043334961 17994.07421875 6.93 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13349 134.981506347656 5619.01708984375 2.17 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13350 135.068466186523 23966.64453125 9.24 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13351 138.09162902832 13969.5419921875 5.38 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13352 141.102188110352 37979.31640625 14.64 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13353 143.118011474609 7567.67626953125 2.92 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13354 147.076568603516 19166.4921875 7.39 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13355 155.117233276367 6305.6201171875 2.43 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13356 156.102005004883 36974.96875 14.25 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13357 158.013305664062 4057.98681640625 1.56 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13358 165.070190429688 5099.9306640625 1.97 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13359 171.112991333008 4143.97216796875 1.6 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13360 173.092239379883 15757.16796875 6.07 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13361 179.085739135742 7024.31640625 2.71 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13362 181.064788818359 5268.21240234375 2.03 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13363 181.101837158203 5614.2802734375 2.16 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13364 183.080139160156 12282.3447265625 4.73 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13365 183.113555908203 29961.744140625 11.55 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13366 184.096923828125 12666.150390625 4.88 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13367 187.075881958008 4133.361328125 1.59 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13368 187.142852783203 3805.51293945312 1.47 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13369 188.072265625 11006.3916015625 4.24 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13370 189.04345703125 4672.9296875 1.8 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13371 191.085342407227 22742.767578125 8.76 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13372 194.072357177734 13341.189453125 5.14 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13373 195.080490112305 19792.763671875 7.63 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13374 201.123229980469 259482.203125 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13375 207.079467773438 39465.890625 15.21 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13376 209.096343994141 56589.96875 21.81 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13377 210.067993164062 4406.3505859375 1.7 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13378 211.075164794922 20023.044921875 7.72 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13379 213.090377807617 18122.58984375 6.98 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13380 215.072402954102 3484.60229492188 1.34 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13381 219.079452514648 26361.6953125 10.16 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13382 221.060852050781 4412.328125 1.7 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13383 222.067459106445 3540.63134765625 1.36 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13384 223.074951171875 7758.408203125 2.99 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13385 224.080169677734 7972.9208984375 3.07 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13386 225.090362548828 25800.498046875 9.94 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13387 229.083251953125 3768.3662109375 1.45 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13388 229.118225097656 12735.6953125 4.91 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13389 230.070190429688 5364.15283203125 2.07 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13390 235.075057983398 126146.1484375 48.61 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13391 237.090667724609 160906.78125 62.01 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13392 239.069213867188 14495.7060546875 5.59 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13393 240.101486206055 4774.25439453125 1.84 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13394 241.085800170898 46825.71484375 18.05 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13395 242.118072509766 7847.2568359375 3.02 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13396 248.07975769043 6978.37646484375 2.69 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13397 248.124008178711 5452.91552734375 2.1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13398 252.101409912109 75927.4921875 29.26 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13399 253.086029052734 26955.53515625 10.39 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13400 254.117233276367 172187.140625 66.36 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13401 256.095886230469 16094.89453125 6.2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13402 256.129821777344 3579.3505859375 1.38 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13403 257.084869384766 6229.66748046875 2.4 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13404 263.070037841797 17579.080078125 6.77 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13405 265.084991455078 22661.712890625 8.73 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13406 269.128082275391 117529.4765625 45.29 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13407 270.111968994141 75451.5546875 29.08 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13408 271.095458984375 6631.2734375 2.56 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13409 280.097412109375 8217.4287109375 3.17 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13410 281.081176757812 37312.8984375 14.38 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13411 281.109832763672 5784.72265625 2.23 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13412 283.096374511719 65701.3984375 25.32 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13413 298.107055664062 90345.890625 34.82 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13414 299.091491699219 8044.08203125 3.1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13415 300.122497558594 13494.9658203125 5.2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13416 315.133636474609 233480.109375 89.98 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13417 316.117401123047 35712.87890625 13.76 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13418 319.153411865234 5623.4189453125 2.17 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13419 327.087799072266 5716.10888671875 2.2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13420 343.513671875 4175.29833984375 1.61 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13421 344.113220214844 18831.517578125 7.26 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13422 361.139190673828 34313.515625 13.22 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13423 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13424 RECORD_TITLE: MZ:361.1388 | RT:70.6 | grpid:513 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13425 MS$FOCUSED_ION: PRECURSOR_M/Z 361.138793945312 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13426 AC$CHROMATOGRAPHY: RETENTION_TIME 70.627524 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13427 XCMS groupid (grpid): 513 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13428 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13429 PK$NUM_PEAK: 85 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13430 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13431 100.039588928223 12111.5087890625 4.67 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13432 107.049629211426 4299.3486328125 1.66 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13433 110.023170471191 3329.40161132812 1.28 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13434 113.107704162598 4920.34716796875 1.9 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13435 116.034530639648 7970.45849609375 3.07 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13436 116.070457458496 3458.05126953125 1.33 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13437 116.985847473145 13577.693359375 5.23 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13438 119.073257446289 52893.6640625 20.38 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13439 130.049957275391 20132.3671875 7.76 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13440 133.060897827148 144405.171875 55.65 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13441 134.060043334961 17994.07421875 6.93 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13442 134.981506347656 5619.01708984375 2.17 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13443 135.068466186523 23966.64453125 9.24 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13444 138.09162902832 13969.5419921875 5.38 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13445 141.102188110352 37979.31640625 14.64 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13446 143.118011474609 7567.67626953125 2.92 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13447 147.076568603516 19166.4921875 7.39 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13448 155.117233276367 6305.6201171875 2.43 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13449 156.102005004883 36974.96875 14.25 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13450 158.013305664062 4057.98681640625 1.56 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13451 165.070190429688 5099.9306640625 1.97 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13452 171.112991333008 4143.97216796875 1.6 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13453 173.092239379883 15757.16796875 6.07 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13454 179.085739135742 7024.31640625 2.71 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13455 181.064788818359 5268.21240234375 2.03 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13456 181.101837158203 5614.2802734375 2.16 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13457 183.080139160156 12282.3447265625 4.73 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13458 183.113555908203 29961.744140625 11.55 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13459 184.096923828125 12666.150390625 4.88 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13460 187.075881958008 4133.361328125 1.59 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13461 187.142852783203 3805.51293945312 1.47 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13462 188.072265625 11006.3916015625 4.24 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13463 189.04345703125 4672.9296875 1.8 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13464 191.085342407227 22742.767578125 8.76 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13465 194.072357177734 13341.189453125 5.14 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13466 195.080490112305 19792.763671875 7.63 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13467 201.123229980469 259482.203125 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13468 207.079467773438 39465.890625 15.21 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13469 209.096343994141 56589.96875 21.81 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13470 210.067993164062 4406.3505859375 1.7 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13471 211.075164794922 20023.044921875 7.72 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13472 213.090377807617 18122.58984375 6.98 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13473 215.072402954102 3484.60229492188 1.34 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13474 219.079452514648 26361.6953125 10.16 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13475 221.060852050781 4412.328125 1.7 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13476 222.067459106445 3540.63134765625 1.36 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13477 223.074951171875 7758.408203125 2.99 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13478 224.080169677734 7972.9208984375 3.07 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13479 225.090362548828 25800.498046875 9.94 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13480 229.083251953125 3768.3662109375 1.45 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13481 229.118225097656 12735.6953125 4.91 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13482 230.070190429688 5364.15283203125 2.07 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13483 235.075057983398 126146.1484375 48.61 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13484 237.090667724609 160906.78125 62.01 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13485 239.069213867188 14495.7060546875 5.59 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13486 240.101486206055 4774.25439453125 1.84 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13487 241.085800170898 46825.71484375 18.05 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13488 242.118072509766 7847.2568359375 3.02 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13489 248.07975769043 6978.37646484375 2.69 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13490 248.124008178711 5452.91552734375 2.1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13491 252.101409912109 75927.4921875 29.26 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13492 253.086029052734 26955.53515625 10.39 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13493 254.117233276367 172187.140625 66.36 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13494 256.095886230469 16094.89453125 6.2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13495 256.129821777344 3579.3505859375 1.38 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13496 257.084869384766 6229.66748046875 2.4 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13497 263.070037841797 17579.080078125 6.77 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13498 265.084991455078 22661.712890625 8.73 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13499 269.128082275391 117529.4765625 45.29 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13500 270.111968994141 75451.5546875 29.08 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13501 271.095458984375 6631.2734375 2.56 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13502 280.097412109375 8217.4287109375 3.17 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13503 281.081176757812 37312.8984375 14.38 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13504 281.109832763672 5784.72265625 2.23 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13505 283.096374511719 65701.3984375 25.32 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13506 298.107055664062 90345.890625 34.82 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13507 299.091491699219 8044.08203125 3.1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13508 300.122497558594 13494.9658203125 5.2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13509 315.133636474609 233480.109375 89.98 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13510 316.117401123047 35712.87890625 13.76 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13511 319.153411865234 5623.4189453125 2.17 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13512 327.087799072266 5716.10888671875 2.2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13513 343.513671875 4175.29833984375 1.61 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13514 344.113220214844 18831.517578125 7.26 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13515 361.139190673828 34313.515625 13.22 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13516 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13517 RECORD_TITLE: MZ:362.1915 | RT:64.4 | grpid:515 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13518 MS$FOCUSED_ION: PRECURSOR_M/Z 362.191528320312 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13519 AC$CHROMATOGRAPHY: RETENTION_TIME 64.427298 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13520 XCMS groupid (grpid): 515 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13521 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13522 PK$NUM_PEAK: 22 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13523 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13524 101.071388244629 21639.20703125 9.06 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13525 102.055397033691 133039.03125 55.68 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13526 116.071235656738 6828.22705078125 2.86 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13527 120.065765380859 130987.234375 54.82 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13528 130.049713134766 31560.658203125 13.21 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13529 140.070526123047 15615.0712890625 6.53 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13530 142.122497558594 13916.052734375 5.82 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13531 143.118209838867 4314.509765625 1.81 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13532 148.060516357422 5441.0029296875 2.28 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13533 152.107116699219 3751.466796875 1.57 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13534 170.118240356445 7807.0615234375 3.27 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13535 185.091690063477 8135.95751953125 3.4 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13536 187.144073486328 89444.8828125 37.43 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13537 197.12907409668 16842.912109375 7.05 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13538 213.086547851562 81395.3359375 34.06 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13539 215.138931274414 238945.421875 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13540 231.097518920898 133114.140625 55.71 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13541 231.119110107422 6252.3779296875 2.62 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13542 231.143371582031 3239.9208984375 1.36 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13543 242.328903198242 3181.13891601562 1.33 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13544 243.133941650391 51009.54296875 21.35 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13545 249.107604980469 10863.931640625 4.55 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13546 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13547 RECORD_TITLE: MZ:362.1915 | RT:64.4 | grpid:515 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13548 MS$FOCUSED_ION: PRECURSOR_M/Z 362.191528320312 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13549 AC$CHROMATOGRAPHY: RETENTION_TIME 64.427298 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13550 XCMS groupid (grpid): 515 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13551 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13552 PK$NUM_PEAK: 22 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13553 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13554 101.071388244629 21639.20703125 9.06 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13555 102.055397033691 133039.03125 55.68 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13556 116.071235656738 6828.22705078125 2.86 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13557 120.065765380859 130987.234375 54.82 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13558 130.049713134766 31560.658203125 13.21 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13559 140.070526123047 15615.0712890625 6.53 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13560 142.122497558594 13916.052734375 5.82 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13561 143.118209838867 4314.509765625 1.81 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13562 148.060516357422 5441.0029296875 2.28 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13563 152.107116699219 3751.466796875 1.57 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13564 170.118240356445 7807.0615234375 3.27 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13565 185.091690063477 8135.95751953125 3.4 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13566 187.144073486328 89444.8828125 37.43 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13567 197.12907409668 16842.912109375 7.05 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13568 213.086547851562 81395.3359375 34.06 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13569 215.138931274414 238945.421875 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13570 231.097518920898 133114.140625 55.71 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13571 231.119110107422 6252.3779296875 2.62 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13572 231.143371582031 3239.9208984375 1.36 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13573 242.328903198242 3181.13891601562 1.33 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13574 243.133941650391 51009.54296875 21.35 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13575 249.107604980469 10863.931640625 4.55 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13576 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13577 RECORD_TITLE: MZ:362.1916 | RT:64.6 | grpid:515 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13578 MS$FOCUSED_ION: PRECURSOR_M/Z 362.191558837891 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13579 AC$CHROMATOGRAPHY: RETENTION_TIME 64.605414 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13580 XCMS groupid (grpid): 515 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13581 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13582 PK$NUM_PEAK: 23 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13583 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13584 101.071533203125 23256.37109375 10.65 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13585 102.055381774902 115666.3125 52.95 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13586 102.202476501465 3083.99609375 1.41 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13587 112.222114562988 3042.80590820312 1.39 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13588 120.065734863281 114522.625 52.43 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13589 130.049789428711 26518.72265625 12.14 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13590 140.070571899414 7451.79248046875 3.41 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13591 142.122940063477 7232.68798828125 3.31 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13592 143.118148803711 3675.23364257812 1.68 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13593 148.061187744141 3808.60888671875 1.74 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13594 154.849838256836 3004.14819335938 1.38 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13595 169.06022644043 4621.54443359375 2.12 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13596 170.11799621582 7611.681640625 3.48 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13597 185.09260559082 14651.4423828125 6.71 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13598 187.144119262695 120661.4453125 55.24 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13599 197.129119873047 4198.2587890625 1.92 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13600 202.127166748047 4503.88134765625 2.06 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13601 213.087188720703 76450.1328125 35 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13602 215.139007568359 218449.890625 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13603 231.097671508789 138937.828125 63.6 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13604 238.79475402832 3672.62524414062 1.68 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13605 243.133636474609 43720.54296875 20.01 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13606 249.107650756836 5705.5341796875 2.61 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13607 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13608 RECORD_TITLE: MZ:362.1916 | RT:64.6 | grpid:515 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13609 MS$FOCUSED_ION: PRECURSOR_M/Z 362.191558837891 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13610 AC$CHROMATOGRAPHY: RETENTION_TIME 64.605414 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13611 XCMS groupid (grpid): 515 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13612 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13613 PK$NUM_PEAK: 23 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13614 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13615 101.071533203125 23256.37109375 10.65 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13616 102.055381774902 115666.3125 52.95 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13617 102.202476501465 3083.99609375 1.41 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13618 112.222114562988 3042.80590820312 1.39 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13619 120.065734863281 114522.625 52.43 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13620 130.049789428711 26518.72265625 12.14 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13621 140.070571899414 7451.79248046875 3.41 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13622 142.122940063477 7232.68798828125 3.31 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13623 143.118148803711 3675.23364257812 1.68 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13624 148.061187744141 3808.60888671875 1.74 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13625 154.849838256836 3004.14819335938 1.38 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13626 169.06022644043 4621.54443359375 2.12 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13627 170.11799621582 7611.681640625 3.48 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13628 185.09260559082 14651.4423828125 6.71 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13629 187.144119262695 120661.4453125 55.24 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13630 197.129119873047 4198.2587890625 1.92 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13631 202.127166748047 4503.88134765625 2.06 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13632 213.087188720703 76450.1328125 35 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13633 215.139007568359 218449.890625 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13634 231.097671508789 138937.828125 63.6 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13635 238.79475402832 3672.62524414062 1.68 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13636 243.133636474609 43720.54296875 20.01 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13637 249.107650756836 5705.5341796875 2.61 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13638 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13639 RECORD_TITLE: MZ:363.1544 | RT:69.7 | grpid:518 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13640 MS$FOCUSED_ION: PRECURSOR_M/Z 363.154388427734 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13641 AC$CHROMATOGRAPHY: RETENTION_TIME 69.717042 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13642 XCMS groupid (grpid): 518 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13643 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13644 PK$NUM_PEAK: 16 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13645 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13646 100.313407897949 6955.587890625 2.46 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13647 103.620452880859 5906.43359375 2.09 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13648 119.049507141113 64195.64453125 22.75 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13649 120.495223999023 7355.00341796875 2.61 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13650 123.044242858887 108771.984375 38.55 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13651 124.589881896973 6751.685546875 2.39 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13652 136.07568359375 282181.375 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13653 147.044326782227 42011.515625 14.89 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13654 152.85009765625 7171.017578125 2.54 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13655 165.054473876953 226403.40625 80.23 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13656 182.081146240234 131745.671875 46.69 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13657 215.139312744141 8024.45361328125 2.84 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13658 216.112915039062 12873.7197265625 4.56 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13659 216.143112182617 8893.7724609375 3.15 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13660 351.907806396484 7833.08203125 2.78 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13661 362.615264892578 7317.9599609375 2.59 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13662 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13663 RECORD_TITLE: MZ:363.1544 | RT:69.7 | grpid:518 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13664 MS$FOCUSED_ION: PRECURSOR_M/Z 363.154388427734 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13665 AC$CHROMATOGRAPHY: RETENTION_TIME 69.717042 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13666 XCMS groupid (grpid): 518 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13667 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13668 PK$NUM_PEAK: 16 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13669 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13670 100.313407897949 6955.587890625 2.46 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13671 103.620452880859 5906.43359375 2.09 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13672 119.049507141113 64195.64453125 22.75 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13673 120.495223999023 7355.00341796875 2.61 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13674 123.044242858887 108771.984375 38.55 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13675 124.589881896973 6751.685546875 2.39 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13676 136.07568359375 282181.375 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13677 147.044326782227 42011.515625 14.89 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13678 152.85009765625 7171.017578125 2.54 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13679 165.054473876953 226403.40625 80.23 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13680 182.081146240234 131745.671875 46.69 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13681 215.139312744141 8024.45361328125 2.84 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13682 216.112915039062 12873.7197265625 4.56 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13683 216.143112182617 8893.7724609375 3.15 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13684 351.907806396484 7833.08203125 2.78 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13685 362.615264892578 7317.9599609375 2.59 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13686 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13687 RECORD_TITLE: MZ:363.1544 | RT:69.9 | grpid:518 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13688 MS$FOCUSED_ION: PRECURSOR_M/Z 363.154418945312 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13689 AC$CHROMATOGRAPHY: RETENTION_TIME 69.864534 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13690 XCMS groupid (grpid): 518 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13691 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13692 PK$NUM_PEAK: 11 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13693 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13694 119.049301147461 70843.5703125 21.06 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13695 123.044204711914 107581.75 31.98 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13696 136.075729370117 336374.71875 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13697 147.043792724609 58860.91015625 17.5 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13698 160.325393676758 6112.95458984375 1.82 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13699 165.054580688477 253447.875 75.35 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13700 182.081176757812 139566.4375 41.49 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13701 216.112899780273 12982.91015625 3.86 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13702 246.316207885742 5869.61962890625 1.74 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13703 253.381652832031 6271.06396484375 1.86 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13704 353.493469238281 6891.98046875 2.05 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13705 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13706 RECORD_TITLE: MZ:363.1544 | RT:69.9 | grpid:518 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13707 MS$FOCUSED_ION: PRECURSOR_M/Z 363.154418945312 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13708 AC$CHROMATOGRAPHY: RETENTION_TIME 69.864534 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13709 XCMS groupid (grpid): 518 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13710 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13711 PK$NUM_PEAK: 11 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13712 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13713 119.049301147461 70843.5703125 21.06 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13714 123.044204711914 107581.75 31.98 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13715 136.075729370117 336374.71875 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13716 147.043792724609 58860.91015625 17.5 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13717 160.325393676758 6112.95458984375 1.82 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13718 165.054580688477 253447.875 75.35 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13719 182.081176757812 139566.4375 41.49 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13720 216.112899780273 12982.91015625 3.86 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13721 246.316207885742 5869.61962890625 1.74 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13722 253.381652832031 6271.06396484375 1.86 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13723 353.493469238281 6891.98046875 2.05 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13724 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13725 RECORD_TITLE: MZ:369.1532 | RT:118.6 | grpid:537 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13726 MS$FOCUSED_ION: PRECURSOR_M/Z 369.153167724609 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13727 AC$CHROMATOGRAPHY: RETENTION_TIME 118.583076 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13728 XCMS groupid (grpid): 537 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13729 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13730 PK$NUM_PEAK: 5 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13731 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13732 113.532424926758 3462.68896484375 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13733 117.139762878418 3111.56518554688 89.86 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13734 141.411041259766 2775.10424804688 80.14 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13735 159.579620361328 2853.40112304688 82.4 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13736 165.934677124023 2729.99926757812 78.84 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13737 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13738 RECORD_TITLE: MZ:369.1532 | RT:118.6 | grpid:537 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13739 MS$FOCUSED_ION: PRECURSOR_M/Z 369.153167724609 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13740 AC$CHROMATOGRAPHY: RETENTION_TIME 118.583076 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13741 XCMS groupid (grpid): 537 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13742 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13743 PK$NUM_PEAK: 5 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13744 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13745 113.532424926758 3462.68896484375 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13746 117.139762878418 3111.56518554688 89.86 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13747 141.411041259766 2775.10424804688 80.14 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13748 159.579620361328 2853.40112304688 82.4 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13749 165.934677124023 2729.99926757812 78.84 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13750 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13751 RECORD_TITLE: MZ:375.187 | RT:51.4 | grpid:551 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13752 MS$FOCUSED_ION: PRECURSOR_M/Z 375.186950683594 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13753 AC$CHROMATOGRAPHY: RETENTION_TIME 51.4450368 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13754 XCMS groupid (grpid): 551 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13755 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13756 PK$NUM_PEAK: 50 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13757 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13758 100.076095581055 4223.64794921875 4.36 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13759 101.071472167969 21753.130859375 22.46 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13760 102.05534362793 50440.78515625 52.09 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13761 104.107398986816 47196.265625 48.74 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13762 110.071533203125 4443.50634765625 4.59 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13763 114.220054626465 3213.68969726562 3.32 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13764 116.03475189209 3196.67041015625 3.3 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13765 117.10285949707 6121.96826171875 6.32 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13766 118.086524963379 16217.6533203125 16.75 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13767 125.000282287598 4368.8046875 4.51 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13768 129.066009521484 18012.0546875 18.6 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13769 130.04997253418 96838.703125 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13770 131.118087768555 30397.408203125 31.39 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13771 133.060836791992 42877.125 44.28 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13772 134.044967651367 25365.65625 26.19 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13773 136.039611816406 6515.16064453125 6.73 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13774 138.091369628906 3963.455078125 4.09 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13775 143.117660522461 5864.55029296875 6.06 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13776 147.076461791992 83375.03125 86.1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13777 148.060440063477 4635.51611328125 4.79 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13778 155.119430541992 3334.48291015625 3.44 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13779 164.034393310547 3762.45971679688 3.89 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13780 164.381927490234 3705.5849609375 3.83 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13781 166.0859375 4228.22705078125 4.37 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13782 181.061477661133 14544.5859375 15.02 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13783 182.04411315918 6492.74072265625 6.7 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13784 183.112747192383 29747.037109375 30.72 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13785 185.055297851562 24151.201171875 24.94 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13786 198.331970214844 3221.4560546875 3.33 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13787 199.071716308594 14453.8740234375 14.93 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13788 200.139236450195 3833.708984375 3.96 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13789 201.123031616211 18128.90625 18.72 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13790 203.066314697266 4801.16162109375 4.96 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13791 208.095642089844 3760.8115234375 3.88 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13792 211.107971191406 7991.84423828125 8.25 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13793 212.102645874023 5930.95654296875 6.12 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13794 215.139282226562 55490.32421875 57.3 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13795 226.081939697266 4692.2080078125 4.85 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13796 227.065521240234 37410.06640625 38.63 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13797 228.050659179688 14183.55078125 14.65 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13798 228.134399414062 6825.44970703125 7.05 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13799 229.118469238281 7639.3603515625 7.89 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13800 243.133636474609 7807.06982421875 8.06 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13801 244.092803955078 65509.8125 67.65 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13802 245.076950073242 60033.27734375 61.99 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13803 258.109161376953 24368.775390625 25.16 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13804 262.103668212891 46524.4375 48.04 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13805 272.436157226562 3337.22216796875 3.45 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13806 370.075561523438 3940.17626953125 4.07 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13807 375.224273681641 4388.0234375 4.53 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13808 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13809 RECORD_TITLE: MZ:375.187 | RT:51.4 | grpid:551 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13810 MS$FOCUSED_ION: PRECURSOR_M/Z 375.186950683594 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13811 AC$CHROMATOGRAPHY: RETENTION_TIME 51.4450368 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13812 XCMS groupid (grpid): 551 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13813 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13814 PK$NUM_PEAK: 50 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13815 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13816 100.076095581055 4223.64794921875 4.36 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13817 101.071472167969 21753.130859375 22.46 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13818 102.05534362793 50440.78515625 52.09 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13819 104.107398986816 47196.265625 48.74 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13820 110.071533203125 4443.50634765625 4.59 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13821 114.220054626465 3213.68969726562 3.32 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13822 116.03475189209 3196.67041015625 3.3 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13823 117.10285949707 6121.96826171875 6.32 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13824 118.086524963379 16217.6533203125 16.75 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13825 125.000282287598 4368.8046875 4.51 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13826 129.066009521484 18012.0546875 18.6 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13827 130.04997253418 96838.703125 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13828 131.118087768555 30397.408203125 31.39 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13829 133.060836791992 42877.125 44.28 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13830 134.044967651367 25365.65625 26.19 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13831 136.039611816406 6515.16064453125 6.73 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13832 138.091369628906 3963.455078125 4.09 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13833 143.117660522461 5864.55029296875 6.06 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13834 147.076461791992 83375.03125 86.1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13835 148.060440063477 4635.51611328125 4.79 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13836 155.119430541992 3334.48291015625 3.44 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13837 164.034393310547 3762.45971679688 3.89 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13838 164.381927490234 3705.5849609375 3.83 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13839 166.0859375 4228.22705078125 4.37 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13840 181.061477661133 14544.5859375 15.02 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13841 182.04411315918 6492.74072265625 6.7 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13842 183.112747192383 29747.037109375 30.72 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13843 185.055297851562 24151.201171875 24.94 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13844 198.331970214844 3221.4560546875 3.33 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13845 199.071716308594 14453.8740234375 14.93 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13846 200.139236450195 3833.708984375 3.96 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13847 201.123031616211 18128.90625 18.72 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13848 203.066314697266 4801.16162109375 4.96 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13849 208.095642089844 3760.8115234375 3.88 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13850 211.107971191406 7991.84423828125 8.25 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13851 212.102645874023 5930.95654296875 6.12 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13852 215.139282226562 55490.32421875 57.3 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13853 226.081939697266 4692.2080078125 4.85 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13854 227.065521240234 37410.06640625 38.63 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13855 228.050659179688 14183.55078125 14.65 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13856 228.134399414062 6825.44970703125 7.05 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13857 229.118469238281 7639.3603515625 7.89 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13858 243.133636474609 7807.06982421875 8.06 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13859 244.092803955078 65509.8125 67.65 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13860 245.076950073242 60033.27734375 61.99 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13861 258.109161376953 24368.775390625 25.16 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13862 262.103668212891 46524.4375 48.04 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13863 272.436157226562 3337.22216796875 3.45 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13864 370.075561523438 3940.17626953125 4.07 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13865 375.224273681641 4388.0234375 4.53 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13866 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13867 RECORD_TITLE: MZ:375.1869 | RT:51.4 | grpid:551 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13868 MS$FOCUSED_ION: PRECURSOR_M/Z 375.186920166016 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13869 AC$CHROMATOGRAPHY: RETENTION_TIME 51.4450368 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13870 XCMS groupid (grpid): 551 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13871 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13872 PK$NUM_PEAK: 28 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13873 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13874 101.071304321289 13405.0166015625 28.5 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13875 102.055389404297 19491.09765625 41.43 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13876 126.051071166992 4171.79443359375 8.87 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13877 127.086936950684 4155.50390625 8.83 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13878 129.065826416016 15192.037109375 32.3 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13879 129.102432250977 36090.9375 76.72 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13880 130.050155639648 14107.7939453125 29.99 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13881 130.086456298828 5143.40380859375 10.93 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13882 133.060531616211 3740.83520507812 7.95 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13883 133.748901367188 3103.28247070312 6.6 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13884 136.477584838867 2915.7431640625 6.2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13885 142.086364746094 11976.8603515625 25.46 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13886 147.076400756836 14603.099609375 31.04 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13887 147.112686157227 3662.69213867188 7.79 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13888 148.060699462891 4209.46484375 8.95 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13889 157.096740722656 4075.9033203125 8.66 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13890 161.092239379883 16693.763671875 35.49 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13891 169.096786499023 3817.42358398438 8.12 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13892 183.113143920898 3643.21752929688 7.74 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13893 187.107543945312 47041.01953125 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13894 196.144393920898 5677.302734375 12.07 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13895 197.129669189453 5822.47900390625 12.38 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13896 201.085174560547 4060.3837890625 8.63 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13897 215.102142333984 6438.32470703125 13.69 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13898 229.118667602539 6618.83740234375 14.07 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13899 240.494720458984 3784.48266601562 8.05 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13900 262.140350341797 4663.99462890625 9.91 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13901 321.792327880859 3053.04345703125 6.49 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13902 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13903 RECORD_TITLE: MZ:375.1869 | RT:51.4 | grpid:551 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13904 MS$FOCUSED_ION: PRECURSOR_M/Z 375.186920166016 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13905 AC$CHROMATOGRAPHY: RETENTION_TIME 51.4450368 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13906 XCMS groupid (grpid): 551 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13907 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13908 PK$NUM_PEAK: 28 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13909 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13910 101.071304321289 13405.0166015625 28.5 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13911 102.055389404297 19491.09765625 41.43 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13912 126.051071166992 4171.79443359375 8.87 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13913 127.086936950684 4155.50390625 8.83 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13914 129.065826416016 15192.037109375 32.3 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13915 129.102432250977 36090.9375 76.72 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13916 130.050155639648 14107.7939453125 29.99 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13917 130.086456298828 5143.40380859375 10.93 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13918 133.060531616211 3740.83520507812 7.95 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13919 133.748901367188 3103.28247070312 6.6 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13920 136.477584838867 2915.7431640625 6.2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13921 142.086364746094 11976.8603515625 25.46 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13922 147.076400756836 14603.099609375 31.04 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13923 147.112686157227 3662.69213867188 7.79 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13924 148.060699462891 4209.46484375 8.95 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13925 157.096740722656 4075.9033203125 8.66 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13926 161.092239379883 16693.763671875 35.49 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13927 169.096786499023 3817.42358398438 8.12 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13928 183.113143920898 3643.21752929688 7.74 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13929 187.107543945312 47041.01953125 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13930 196.144393920898 5677.302734375 12.07 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13931 197.129669189453 5822.47900390625 12.38 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13932 201.085174560547 4060.3837890625 8.63 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13933 215.102142333984 6438.32470703125 13.69 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13934 229.118667602539 6618.83740234375 14.07 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13935 240.494720458984 3784.48266601562 8.05 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13936 262.140350341797 4663.99462890625 9.91 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13937 321.792327880859 3053.04345703125 6.49 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13938 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13939 RECORD_TITLE: MZ:375.1868 | RT:51.4 | grpid:551 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13940 MS$FOCUSED_ION: PRECURSOR_M/Z 375.186798095703 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13941 AC$CHROMATOGRAPHY: RETENTION_TIME 51.4450368 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13942 XCMS groupid (grpid): 551 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13943 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13944 PK$NUM_PEAK: 27 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13945 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13946 101.071662902832 7235.58251953125 8.78 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13947 102.055229187012 3702.70141601562 4.49 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13948 116.034523010254 3825.14379882812 4.64 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13949 129.066223144531 7568.572265625 9.18 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13950 129.102279663086 13733.3583984375 16.66 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13951 130.050003051758 82448.1328125 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13952 133.060943603516 20847.146484375 25.29 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13953 134.045013427734 12797.107421875 15.52 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13954 141.102508544922 14515.962890625 17.61 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13955 147.076507568359 61882.99609375 75.06 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13956 155.081802368164 3509.08325195312 4.26 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13957 156.102432250977 18153.47265625 22.02 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13958 157.133453369141 3894.947265625 4.72 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13959 183.113586425781 5449.728515625 6.61 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13960 196.144577026367 21009.4921875 25.48 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13961 197.128768920898 28767.4609375 34.89 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13962 200.139434814453 7096.67138671875 8.61 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13963 201.123565673828 49165.94921875 59.63 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13964 203.103652954102 4732.1533203125 5.74 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13965 214.155090332031 5978.4208984375 7.25 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13966 215.139877319336 6628.8154296875 8.04 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13967 217.117294311523 3826.9013671875 4.64 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13968 225.12385559082 3641.32592773438 4.42 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13969 234.206329345703 3346.74047851562 4.06 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13970 245.759918212891 3233.3134765625 3.92 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13971 297.19140625 3240.19653320312 3.93 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13972 357.176025390625 3393.13134765625 4.12 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13973 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13974 RECORD_TITLE: MZ:375.1868 | RT:51.4 | grpid:551 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13975 MS$FOCUSED_ION: PRECURSOR_M/Z 375.186798095703 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13976 AC$CHROMATOGRAPHY: RETENTION_TIME 51.4450368 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13977 XCMS groupid (grpid): 551 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13978 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13979 PK$NUM_PEAK: 27 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13980 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13981 101.071662902832 7235.58251953125 8.78 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13982 102.055229187012 3702.70141601562 4.49 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13983 116.034523010254 3825.14379882812 4.64 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13984 129.066223144531 7568.572265625 9.18 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13985 129.102279663086 13733.3583984375 16.66 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13986 130.050003051758 82448.1328125 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13987 133.060943603516 20847.146484375 25.29 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13988 134.045013427734 12797.107421875 15.52 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13989 141.102508544922 14515.962890625 17.61 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13990 147.076507568359 61882.99609375 75.06 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13991 155.081802368164 3509.08325195312 4.26 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13992 156.102432250977 18153.47265625 22.02 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13993 157.133453369141 3894.947265625 4.72 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13994 183.113586425781 5449.728515625 6.61 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13995 196.144577026367 21009.4921875 25.48 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13996 197.128768920898 28767.4609375 34.89 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13997 200.139434814453 7096.67138671875 8.61 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13998 201.123565673828 49165.94921875 59.63 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13999 203.103652954102 4732.1533203125 5.74 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14000 214.155090332031 5978.4208984375 7.25 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14001 215.139877319336 6628.8154296875 8.04 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14002 217.117294311523 3826.9013671875 4.64 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14003 225.12385559082 3641.32592773438 4.42 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14004 234.206329345703 3346.74047851562 4.06 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14005 245.759918212891 3233.3134765625 3.92 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14006 297.19140625 3240.19653320312 3.93 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14007 357.176025390625 3393.13134765625 4.12 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14008 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14009 RECORD_TITLE: MZ:375.1868 | RT:51.4 | grpid:551 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14010 MS$FOCUSED_ION: PRECURSOR_M/Z 375.186767578125 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14011 AC$CHROMATOGRAPHY: RETENTION_TIME 51.4450368 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14012 XCMS groupid (grpid): 551 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14013 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14014 PK$NUM_PEAK: 29 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14015 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14016 101.0712890625 5265.71240234375 6.76 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14017 102.055549621582 6733.99853515625 8.64 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14018 116.071098327637 3403.06518554688 4.37 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14019 129.10221862793 4393.14404296875 5.64 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14020 130.049911499023 77895.6953125 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14021 130.086135864258 6250.83642578125 8.02 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14022 133.060974121094 5879.931640625 7.55 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14023 138.09130859375 3444.41015625 4.42 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14024 141.102310180664 12162.4892578125 15.61 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14025 147.076370239258 52952.89453125 67.98 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14026 147.11344909668 6948.26806640625 8.92 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14027 147.126327514648 3273.52368164062 4.2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14028 155.118515014648 5058.38232421875 6.49 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14029 156.1015625 6040.298828125 7.75 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14030 178.636856079102 3053.07153320312 3.92 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14031 183.113235473633 6492.693359375 8.34 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14032 184.096328735352 3400.216796875 4.37 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14033 187.106948852539 25908.306640625 33.26 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14034 197.12858581543 4621.884765625 5.93 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14035 200.139801025391 11779.333984375 15.12 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14036 201.123291015625 63128.55078125 81.04 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14037 215.138671875 6260.9638671875 8.04 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14038 220.134338378906 3489.81298828125 4.48 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14039 222.507934570312 3023.87622070312 3.88 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14040 260.195739746094 3417.94409179688 4.39 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14041 276.167419433594 6337.36376953125 8.14 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14042 277.587829589844 3088.16577148438 3.96 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14043 358.832824707031 4319.5302734375 5.55 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14044 375.233215332031 6744.6181640625 8.66 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14045 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14046 RECORD_TITLE: MZ:375.1868 | RT:51.4 | grpid:551 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14047 MS$FOCUSED_ION: PRECURSOR_M/Z 375.186767578125 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14048 AC$CHROMATOGRAPHY: RETENTION_TIME 51.4450368 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14049 XCMS groupid (grpid): 551 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14050 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14051 PK$NUM_PEAK: 29 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14052 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14053 101.0712890625 5265.71240234375 6.76 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14054 102.055549621582 6733.99853515625 8.64 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14055 116.071098327637 3403.06518554688 4.37 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14056 129.10221862793 4393.14404296875 5.64 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14057 130.049911499023 77895.6953125 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14058 130.086135864258 6250.83642578125 8.02 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14059 133.060974121094 5879.931640625 7.55 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14060 138.09130859375 3444.41015625 4.42 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14061 141.102310180664 12162.4892578125 15.61 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14062 147.076370239258 52952.89453125 67.98 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14063 147.11344909668 6948.26806640625 8.92 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14064 147.126327514648 3273.52368164062 4.2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14065 155.118515014648 5058.38232421875 6.49 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14066 156.1015625 6040.298828125 7.75 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14067 178.636856079102 3053.07153320312 3.92 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14068 183.113235473633 6492.693359375 8.34 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14069 184.096328735352 3400.216796875 4.37 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14070 187.106948852539 25908.306640625 33.26 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14071 197.12858581543 4621.884765625 5.93 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14072 200.139801025391 11779.333984375 15.12 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14073 201.123291015625 63128.55078125 81.04 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14074 215.138671875 6260.9638671875 8.04 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14075 220.134338378906 3489.81298828125 4.48 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14076 222.507934570312 3023.87622070312 3.88 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14077 260.195739746094 3417.94409179688 4.39 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14078 276.167419433594 6337.36376953125 8.14 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14079 277.587829589844 3088.16577148438 3.96 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14080 358.832824707031 4319.5302734375 5.55 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14081 375.233215332031 6744.6181640625 8.66 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14082 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14083 RECORD_TITLE: MZ:375.1871 | RT:51.6 | grpid:551 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14084 MS$FOCUSED_ION: PRECURSOR_M/Z 375.187103271484 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14085 AC$CHROMATOGRAPHY: RETENTION_TIME 51.5947758 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14086 XCMS groupid (grpid): 551 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14087 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14088 PK$NUM_PEAK: 36 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14089 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14090 100.076263427734 7546.1962890625 5.66 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14091 100.76611328125 3715.6416015625 2.79 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14092 101.071418762207 15644.1923828125 11.74 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14093 102.055656433105 27232.814453125 20.44 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14094 104.107398986816 133236.9375 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14095 117.102561950684 18057.859375 13.55 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14096 118.086250305176 3072.15063476562 2.31 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14097 125.000221252441 13350.2626953125 10.02 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14098 129.066223144531 4145.56787109375 3.11 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14099 129.101852416992 3525.40478515625 2.65 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14100 130.049911499023 71302.4609375 53.52 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14101 131.117752075195 6242.31982421875 4.69 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14102 133.060928344727 14907.283203125 11.19 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14103 134.044799804688 3702.80419921875 2.78 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14104 138.09130859375 5410.58154296875 4.06 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14105 140.069320678711 3791.55810546875 2.85 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14106 141.918716430664 3378.80908203125 2.54 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14107 147.076293945312 55313.73828125 41.52 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14108 156.102508544922 3269.0595703125 2.45 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14109 181.061004638672 3989.51953125 2.99 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14110 183.112457275391 26210.86328125 19.67 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14111 184.073608398438 15300.357421875 11.48 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14112 185.055694580078 4168.3134765625 3.13 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14113 201.123321533203 21752.84765625 16.33 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14114 206.244659423828 3507.85083007812 2.63 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14115 207.015274047852 5268.3427734375 3.95 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14116 215.139846801758 15175.44921875 11.39 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14117 227.066329956055 12407.1875 9.31 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14118 229.117889404297 5261.74853515625 3.95 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14119 240.100814819336 3763.12744140625 2.82 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14120 244.093368530273 14348.1962890625 10.77 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14121 245.076995849609 17332.78125 13.01 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14122 258.109802246094 59167.54296875 44.41 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14123 262.103057861328 5984.1650390625 4.49 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14124 311.065277099609 3691.60766601562 2.77 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14125 375.222900390625 7451.01513671875 5.59 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14126 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14127 RECORD_TITLE: MZ:375.1871 | RT:51.6 | grpid:551 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14128 MS$FOCUSED_ION: PRECURSOR_M/Z 375.187103271484 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14129 AC$CHROMATOGRAPHY: RETENTION_TIME 51.5947758 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14130 XCMS groupid (grpid): 551 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14131 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14132 PK$NUM_PEAK: 36 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14133 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14134 100.076263427734 7546.1962890625 5.66 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14135 100.76611328125 3715.6416015625 2.79 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14136 101.071418762207 15644.1923828125 11.74 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14137 102.055656433105 27232.814453125 20.44 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14138 104.107398986816 133236.9375 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14139 117.102561950684 18057.859375 13.55 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14140 118.086250305176 3072.15063476562 2.31 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14141 125.000221252441 13350.2626953125 10.02 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14142 129.066223144531 4145.56787109375 3.11 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14143 129.101852416992 3525.40478515625 2.65 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14144 130.049911499023 71302.4609375 53.52 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14145 131.117752075195 6242.31982421875 4.69 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14146 133.060928344727 14907.283203125 11.19 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14147 134.044799804688 3702.80419921875 2.78 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14148 138.09130859375 5410.58154296875 4.06 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14149 140.069320678711 3791.55810546875 2.85 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14150 141.918716430664 3378.80908203125 2.54 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14151 147.076293945312 55313.73828125 41.52 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14152 156.102508544922 3269.0595703125 2.45 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14153 181.061004638672 3989.51953125 2.99 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14154 183.112457275391 26210.86328125 19.67 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14155 184.073608398438 15300.357421875 11.48 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14156 185.055694580078 4168.3134765625 3.13 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14157 201.123321533203 21752.84765625 16.33 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14158 206.244659423828 3507.85083007812 2.63 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14159 207.015274047852 5268.3427734375 3.95 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14160 215.139846801758 15175.44921875 11.39 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14161 227.066329956055 12407.1875 9.31 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14162 229.117889404297 5261.74853515625 3.95 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14163 240.100814819336 3763.12744140625 2.82 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14164 244.093368530273 14348.1962890625 10.77 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14165 245.076995849609 17332.78125 13.01 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14166 258.109802246094 59167.54296875 44.41 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14167 262.103057861328 5984.1650390625 4.49 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14168 311.065277099609 3691.60766601562 2.77 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14169 375.222900390625 7451.01513671875 5.59 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14170 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14171 RECORD_TITLE: MZ:375.1869 | RT:51.6 | grpid:551 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14172 MS$FOCUSED_ION: PRECURSOR_M/Z 375.186859130859 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14173 AC$CHROMATOGRAPHY: RETENTION_TIME 51.5947758 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14174 XCMS groupid (grpid): 551 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14175 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14176 PK$NUM_PEAK: 23 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14177 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14178 101.071601867676 12710.5751953125 19.58 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14179 102.055297851562 26777.037109375 41.25 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14180 106.278053283691 2853.70825195312 4.4 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14181 122.972595214844 2884.09375 4.44 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14182 125.034408569336 3246.0478515625 5 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14183 125.047492980957 5959.91162109375 9.18 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14184 126.050323486328 12257.2783203125 18.88 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14185 129.066040039062 22896.1015625 35.27 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14186 129.102401733398 64916.0234375 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14187 130.049789428711 4824.482421875 7.43 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14188 130.086364746094 15460.0498046875 23.82 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14189 134.044662475586 5043.2861328125 7.77 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14190 137.581970214844 2854.84887695312 4.4 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14191 147.11311340332 15804.31640625 24.35 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14192 148.060287475586 3264.37744140625 5.03 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14193 183.113250732422 19118.001953125 29.45 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14194 187.108016967773 17728.015625 27.31 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14195 196.144744873047 15828.9775390625 24.38 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14196 197.128570556641 23167.3984375 35.69 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14197 201.122421264648 3693.38549804688 5.69 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14198 229.118041992188 7423.732421875 11.44 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14199 262.137420654297 9826.9990234375 15.14 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14200 291.134735107422 3265.45678710938 5.03 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14201 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14202 RECORD_TITLE: MZ:375.1869 | RT:51.6 | grpid:551 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14203 MS$FOCUSED_ION: PRECURSOR_M/Z 375.186859130859 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14204 AC$CHROMATOGRAPHY: RETENTION_TIME 51.5947758 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14205 XCMS groupid (grpid): 551 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14206 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14207 PK$NUM_PEAK: 23 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14208 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14209 101.071601867676 12710.5751953125 19.58 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14210 102.055297851562 26777.037109375 41.25 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14211 106.278053283691 2853.70825195312 4.4 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14212 122.972595214844 2884.09375 4.44 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14213 125.034408569336 3246.0478515625 5 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14214 125.047492980957 5959.91162109375 9.18 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14215 126.050323486328 12257.2783203125 18.88 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14216 129.066040039062 22896.1015625 35.27 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14217 129.102401733398 64916.0234375 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14218 130.049789428711 4824.482421875 7.43 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14219 130.086364746094 15460.0498046875 23.82 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14220 134.044662475586 5043.2861328125 7.77 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14221 137.581970214844 2854.84887695312 4.4 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14222 147.11311340332 15804.31640625 24.35 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14223 148.060287475586 3264.37744140625 5.03 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14224 183.113250732422 19118.001953125 29.45 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14225 187.108016967773 17728.015625 27.31 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14226 196.144744873047 15828.9775390625 24.38 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14227 197.128570556641 23167.3984375 35.69 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14228 201.122421264648 3693.38549804688 5.69 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14229 229.118041992188 7423.732421875 11.44 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14230 262.137420654297 9826.9990234375 15.14 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14231 291.134735107422 3265.45678710938 5.03 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14232 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14233 RECORD_TITLE: MZ:375.1869 | RT:51.6 | grpid:551 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14234 MS$FOCUSED_ION: PRECURSOR_M/Z 375.186920166016 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14235 AC$CHROMATOGRAPHY: RETENTION_TIME 51.5947758 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14236 XCMS groupid (grpid): 551 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14237 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14238 PK$NUM_PEAK: 21 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14239 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14240 101.071319580078 16489.58203125 29.07 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14241 101.288635253906 3558.95239257812 6.27 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14242 129.066070556641 6207.2783203125 10.94 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14243 129.10237121582 12822.3798828125 22.6 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14244 130.049942016602 56727.26953125 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14245 133.060806274414 14748.9638671875 26 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14246 134.04426574707 12203.982421875 21.51 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14247 138.091110229492 3501.79833984375 6.17 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14248 141.101913452148 14260.5947265625 25.14 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14249 147.076263427734 41811.7578125 73.71 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14250 155.117874145508 7255.27978515625 12.79 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14251 156.101623535156 6652.86572265625 11.73 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14252 157.134048461914 3638.13452148438 6.41 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14253 177.563690185547 3152.11474609375 5.56 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14254 183.113159179688 12251.822265625 21.6 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14255 196.144088745117 18498.125 32.61 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14256 197.128128051758 21672.10546875 38.2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14257 200.139190673828 19149.88671875 33.76 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14258 201.123733520508 34482.609375 60.79 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14259 203.102203369141 14561.48046875 25.67 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14260 260.471221923828 3444.17211914062 6.07 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14261 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14262 RECORD_TITLE: MZ:375.1869 | RT:51.6 | grpid:551 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14263 MS$FOCUSED_ION: PRECURSOR_M/Z 375.186920166016 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14264 AC$CHROMATOGRAPHY: RETENTION_TIME 51.5947758 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14265 XCMS groupid (grpid): 551 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14266 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14267 PK$NUM_PEAK: 21 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14268 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14269 101.071319580078 16489.58203125 29.07 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14270 101.288635253906 3558.95239257812 6.27 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14271 129.066070556641 6207.2783203125 10.94 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14272 129.10237121582 12822.3798828125 22.6 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14273 130.049942016602 56727.26953125 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14274 133.060806274414 14748.9638671875 26 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14275 134.04426574707 12203.982421875 21.51 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14276 138.091110229492 3501.79833984375 6.17 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14277 141.101913452148 14260.5947265625 25.14 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14278 147.076263427734 41811.7578125 73.71 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14279 155.117874145508 7255.27978515625 12.79 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14280 156.101623535156 6652.86572265625 11.73 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14281 157.134048461914 3638.13452148438 6.41 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14282 177.563690185547 3152.11474609375 5.56 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14283 183.113159179688 12251.822265625 21.6 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14284 196.144088745117 18498.125 32.61 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14285 197.128128051758 21672.10546875 38.2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14286 200.139190673828 19149.88671875 33.76 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14287 201.123733520508 34482.609375 60.79 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14288 203.102203369141 14561.48046875 25.67 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14289 260.471221923828 3444.17211914062 6.07 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14290 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14291 RECORD_TITLE: MZ:375.1867 | RT:51.6 | grpid:551 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14292 MS$FOCUSED_ION: PRECURSOR_M/Z 375.186706542969 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14293 AC$CHROMATOGRAPHY: RETENTION_TIME 51.5947758 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14294 XCMS groupid (grpid): 551 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14295 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14296 PK$NUM_PEAK: 25 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14297 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14298 102.055549621582 13487.74609375 44.88 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14299 116.070671081543 5957.71142578125 19.83 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14300 118.882690429688 2930.4892578125 9.75 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14301 129.065536499023 2792.34545898438 9.29 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14302 130.049957275391 18392.673828125 61.21 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14303 132.102127075195 4678.94921875 15.57 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14304 133.060562133789 24282.31640625 80.81 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14305 141.102493286133 7010.25146484375 23.33 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14306 147.076858520508 6090.03662109375 20.27 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14307 148.060409545898 5299.95849609375 17.64 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14308 155.118087768555 13071.4150390625 43.5 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14309 183.113250732422 13759.0419921875 45.79 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14310 187.107757568359 30050.21484375 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14311 188.116851806641 3119.83715820312 10.38 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14312 197.129058837891 13456.390625 44.78 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14313 199.072799682617 3454.95458984375 11.5 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14314 200.139236450195 29500.130859375 98.17 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14315 201.123519897461 17738.3828125 59.03 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14316 215.138946533203 15552.9130859375 51.76 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14317 216.982376098633 3606.55419921875 12 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14318 244.092468261719 4297.216796875 14.3 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14319 249.166625976562 3427.99584960938 11.41 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14320 276.167205810547 18164.0859375 60.45 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14321 375.233428955078 5857.43798828125 19.49 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14322 377.149841308594 3169.154296875 10.55 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14323 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14324 RECORD_TITLE: MZ:375.1867 | RT:51.6 | grpid:551 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14325 MS$FOCUSED_ION: PRECURSOR_M/Z 375.186706542969 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14326 AC$CHROMATOGRAPHY: RETENTION_TIME 51.5947758 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14327 XCMS groupid (grpid): 551 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14328 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14329 PK$NUM_PEAK: 25 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14330 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14331 102.055549621582 13487.74609375 44.88 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14332 116.070671081543 5957.71142578125 19.83 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14333 118.882690429688 2930.4892578125 9.75 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14334 129.065536499023 2792.34545898438 9.29 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14335 130.049957275391 18392.673828125 61.21 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14336 132.102127075195 4678.94921875 15.57 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14337 133.060562133789 24282.31640625 80.81 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14338 141.102493286133 7010.25146484375 23.33 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14339 147.076858520508 6090.03662109375 20.27 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14340 148.060409545898 5299.95849609375 17.64 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14341 155.118087768555 13071.4150390625 43.5 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14342 183.113250732422 13759.0419921875 45.79 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14343 187.107757568359 30050.21484375 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14344 188.116851806641 3119.83715820312 10.38 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14345 197.129058837891 13456.390625 44.78 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14346 199.072799682617 3454.95458984375 11.5 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14347 200.139236450195 29500.130859375 98.17 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14348 201.123519897461 17738.3828125 59.03 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14349 215.138946533203 15552.9130859375 51.76 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14350 216.982376098633 3606.55419921875 12 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14351 244.092468261719 4297.216796875 14.3 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14352 249.166625976562 3427.99584960938 11.41 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14353 276.167205810547 18164.0859375 60.45 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14354 375.233428955078 5857.43798828125 19.49 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14355 377.149841308594 3169.154296875 10.55 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14356 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14357 RECORD_TITLE: MZ:394.1604 | RT:112 | grpid:596 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14358 MS$FOCUSED_ION: PRECURSOR_M/Z 394.160400390625 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14359 AC$CHROMATOGRAPHY: RETENTION_TIME 111.9768 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14360 XCMS groupid (grpid): 596 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14361 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14362 PK$NUM_PEAK: 17 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14363 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14364 102.766708374023 3929.609375 7.41 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14365 117.806762695312 3366.19604492188 6.35 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14366 118.686012268066 3622.3388671875 6.83 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14367 123.743171691895 3217.89379882812 6.07 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14368 125.071006774902 5570.35595703125 10.5 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14369 128.317962646484 2899.56469726562 5.47 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14370 136.075881958008 20010.845703125 37.73 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14371 155.045272827148 3647.17114257812 6.88 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14372 165.054244995117 5754.60986328125 10.85 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14373 167.081008911133 6179.26220703125 11.65 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14374 175.066543579102 3524.22631835938 6.64 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14375 185.092147827148 53042.44140625 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14376 196.061447143555 4606.38916015625 8.68 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14377 213.08674621582 5382.7021484375 10.15 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14378 279.134704589844 22566.8359375 42.54 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14379 317.111999511719 7535.61669921875 14.21 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14380 359.123138427734 5193.3125 9.79 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14381 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14382 RECORD_TITLE: MZ:394.1604 | RT:112 | grpid:596 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14383 MS$FOCUSED_ION: PRECURSOR_M/Z 394.160400390625 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14384 AC$CHROMATOGRAPHY: RETENTION_TIME 111.9768 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14385 XCMS groupid (grpid): 596 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14386 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14387 PK$NUM_PEAK: 17 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14388 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14389 102.766708374023 3929.609375 7.41 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14390 117.806762695312 3366.19604492188 6.35 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14391 118.686012268066 3622.3388671875 6.83 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14392 123.743171691895 3217.89379882812 6.07 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14393 125.071006774902 5570.35595703125 10.5 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14394 128.317962646484 2899.56469726562 5.47 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14395 136.075881958008 20010.845703125 37.73 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14396 155.045272827148 3647.17114257812 6.88 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14397 165.054244995117 5754.60986328125 10.85 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14398 167.081008911133 6179.26220703125 11.65 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14399 175.066543579102 3524.22631835938 6.64 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14400 185.092147827148 53042.44140625 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14401 196.061447143555 4606.38916015625 8.68 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14402 213.08674621582 5382.7021484375 10.15 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14403 279.134704589844 22566.8359375 42.54 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14404 317.111999511719 7535.61669921875 14.21 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14405 359.123138427734 5193.3125 9.79 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14406 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14407 RECORD_TITLE: MZ:394.1605 | RT:113 | grpid:596 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14408 MS$FOCUSED_ION: PRECURSOR_M/Z 394.160461425781 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14409 AC$CHROMATOGRAPHY: RETENTION_TIME 112.983072 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14410 XCMS groupid (grpid): 596 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14411 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14412 PK$NUM_PEAK: 17 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14413 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14414 125.071266174316 18474.486328125 35.71 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14415 136.07585144043 26903.927734375 52 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14416 142.836349487305 3245.5166015625 6.27 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14417 147.454162597656 3399.47290039062 6.57 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14418 151.377349853516 3015.4287109375 5.83 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14419 167.082138061523 5944.7177734375 11.49 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14420 182.081329345703 4438.41357421875 8.58 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14421 185.091857910156 51733.65234375 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14422 196.059860229492 4624.06640625 8.94 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14423 211.785034179688 3312.98022460938 6.4 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14424 213.087020874023 7644.798828125 14.78 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14425 243.112808227539 6943.72216796875 13.42 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14426 243.903228759766 3231.54345703125 6.25 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14427 279.133819580078 18169.6484375 35.12 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14428 317.114227294922 13560.7890625 26.21 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14429 359.126098632812 3799.70556640625 7.34 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14430 394.346771240234 3509.42309570312 6.78 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14431 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14432 RECORD_TITLE: MZ:394.1605 | RT:113 | grpid:596 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14433 MS$FOCUSED_ION: PRECURSOR_M/Z 394.160461425781 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14434 AC$CHROMATOGRAPHY: RETENTION_TIME 112.983072 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14435 XCMS groupid (grpid): 596 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14436 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14437 PK$NUM_PEAK: 17 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14438 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14439 125.071266174316 18474.486328125 35.71 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14440 136.07585144043 26903.927734375 52 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14441 142.836349487305 3245.5166015625 6.27 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14442 147.454162597656 3399.47290039062 6.57 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14443 151.377349853516 3015.4287109375 5.83 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14444 167.082138061523 5944.7177734375 11.49 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14445 182.081329345703 4438.41357421875 8.58 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14446 185.091857910156 51733.65234375 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14447 196.059860229492 4624.06640625 8.94 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14448 211.785034179688 3312.98022460938 6.4 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14449 213.087020874023 7644.798828125 14.78 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14450 243.112808227539 6943.72216796875 13.42 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14451 243.903228759766 3231.54345703125 6.25 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14452 279.133819580078 18169.6484375 35.12 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14453 317.114227294922 13560.7890625 26.21 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14454 359.126098632812 3799.70556640625 7.34 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14455 394.346771240234 3509.42309570312 6.78 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14456 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14457 RECORD_TITLE: MZ:401.0603 | RT:34 | grpid:612 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14458 MS$FOCUSED_ION: PRECURSOR_M/Z 401.060302734375 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14459 AC$CHROMATOGRAPHY: RETENTION_TIME 34.0415226 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14460 XCMS groupid (grpid): 612 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14461 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14462 PK$NUM_PEAK: 21 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14463 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14464 116.995132446289 136892.984375 1.66 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14465 124.999984741211 42946.36328125 0.52 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14466 136.999877929688 238328.71875 2.89 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14467 140.010681152344 93211.8828125 1.13 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14468 140.528503417969 8499.00390625 0.1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14469 155.010330200195 8256080.5 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14470 173.020904541016 679665.5625 8.23 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14471 173.036026000977 18195.396484375 0.22 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14472 178.950942993164 31425.779296875 0.38 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14473 196.037170410156 44366.0078125 0.54 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14474 201.402801513672 7493.45556640625 0.09 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14475 211.03645324707 526844.25 6.38 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14476 213.640502929688 9425.62890625 0.11 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14477 216.965560913086 144223.203125 1.75 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14478 229.04704284668 521291.78125 6.31 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14479 234.9765625 620313.9375 7.51 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14480 247.057693481445 135150.9375 1.64 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14481 291.002990722656 192032.71875 2.33 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14482 309.012908935547 35465.66796875 0.43 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14483 311.400085449219 10430.2568359375 0.13 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14484 376.881713867188 8704.376953125 0.11 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14485 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14486 RECORD_TITLE: MZ:401.0603 | RT:34 | grpid:612 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14487 MS$FOCUSED_ION: PRECURSOR_M/Z 401.060302734375 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14488 AC$CHROMATOGRAPHY: RETENTION_TIME 34.0415226 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14489 XCMS groupid (grpid): 612 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14490 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14491 PK$NUM_PEAK: 21 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14492 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14493 116.995132446289 136892.984375 1.66 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14494 124.999984741211 42946.36328125 0.52 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14495 136.999877929688 238328.71875 2.89 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14496 140.010681152344 93211.8828125 1.13 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14497 140.528503417969 8499.00390625 0.1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14498 155.010330200195 8256080.5 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14499 173.020904541016 679665.5625 8.23 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14500 173.036026000977 18195.396484375 0.22 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14501 178.950942993164 31425.779296875 0.38 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14502 196.037170410156 44366.0078125 0.54 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14503 201.402801513672 7493.45556640625 0.09 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14504 211.03645324707 526844.25 6.38 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14505 213.640502929688 9425.62890625 0.11 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14506 216.965560913086 144223.203125 1.75 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14507 229.04704284668 521291.78125 6.31 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14508 234.9765625 620313.9375 7.51 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14509 247.057693481445 135150.9375 1.64 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14510 291.002990722656 192032.71875 2.33 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14511 309.012908935547 35465.66796875 0.43 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14512 311.400085449219 10430.2568359375 0.13 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14513 376.881713867188 8704.376953125 0.11 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14514 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14515 RECORD_TITLE: MZ:401.0603 | RT:34 | grpid:612 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14516 MS$FOCUSED_ION: PRECURSOR_M/Z 401.060333251953 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14517 AC$CHROMATOGRAPHY: RETENTION_TIME 34.0415226 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14518 XCMS groupid (grpid): 612 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14519 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14520 PK$NUM_PEAK: 17 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14521 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14522 100.988975524902 47076.8515625 31.69 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14523 108.061096191406 3763.66381835938 2.53 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14524 109.599235534668 2997.06420898438 2.02 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14525 116.994995117188 3539.68872070312 2.38 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14526 155.010345458984 148573.859375 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14527 156.014068603516 18942.033203125 12.75 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14528 157.014785766602 85852.5703125 57.78 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14529 159.085784912109 3452.07983398438 2.32 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14530 169.349212646484 3243.4013671875 2.18 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14531 173.020584106445 4780.51318359375 3.22 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14532 173.584411621094 3040.2529296875 2.05 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14533 175.025650024414 7430.17431640625 5 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14534 193.485229492188 3269.10034179688 2.2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14535 211.036483764648 4254.63330078125 2.86 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14536 231.051712036133 6051.41162109375 4.07 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14537 234.976608276367 3502.38916015625 2.36 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14538 236.98127746582 5809.45556640625 3.91 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14539 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14540 RECORD_TITLE: MZ:401.0603 | RT:34 | grpid:612 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14541 MS$FOCUSED_ION: PRECURSOR_M/Z 401.060333251953 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14542 AC$CHROMATOGRAPHY: RETENTION_TIME 34.0415226 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14543 XCMS groupid (grpid): 612 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14544 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14545 PK$NUM_PEAK: 17 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14546 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14547 100.988975524902 47076.8515625 31.69 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14548 108.061096191406 3763.66381835938 2.53 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14549 109.599235534668 2997.06420898438 2.02 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14550 116.994995117188 3539.68872070312 2.38 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14551 155.010345458984 148573.859375 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14552 156.014068603516 18942.033203125 12.75 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14553 157.014785766602 85852.5703125 57.78 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14554 159.085784912109 3452.07983398438 2.32 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14555 169.349212646484 3243.4013671875 2.18 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14556 173.020584106445 4780.51318359375 3.22 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14557 173.584411621094 3040.2529296875 2.05 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14558 175.025650024414 7430.17431640625 5 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14559 193.485229492188 3269.10034179688 2.2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14560 211.036483764648 4254.63330078125 2.86 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14561 231.051712036133 6051.41162109375 4.07 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14562 234.976608276367 3502.38916015625 2.36 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14563 236.98127746582 5809.45556640625 3.91 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14564 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14565 RECORD_TITLE: MZ:401.0603 | RT:34.2 | grpid:612 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14566 MS$FOCUSED_ION: PRECURSOR_M/Z 401.060333251953 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14567 AC$CHROMATOGRAPHY: RETENTION_TIME 34.1913918 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14568 XCMS groupid (grpid): 612 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14569 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14570 PK$NUM_PEAK: 23 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14571 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14572 116.995010375977 152569.53125 1.82 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14573 123.777450561523 8107.2958984375 0.1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14574 124.999740600586 60736.56640625 0.72 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14575 136.999847412109 264684 3.15 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14576 140.010818481445 98667.4140625 1.17 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14577 140.450241088867 8842.6044921875 0.11 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14578 155.010284423828 8400667 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14579 173.020843505859 720799.75 8.58 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14580 178.950073242188 34890.97265625 0.42 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14581 195.501876831055 7862.93017578125 0.09 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14582 196.036972045898 55461.46484375 0.66 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14583 211.036422729492 526707.8125 6.27 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14584 216.965789794922 140906.8125 1.68 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14585 222.872299194336 7800.2646484375 0.09 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14586 229.046951293945 499441.21875 5.95 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14587 229.070068359375 19001.33984375 0.23 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14588 234.976547241211 646214.5 7.69 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14589 247.057281494141 127103.421875 1.51 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14590 257.992340087891 16358.1513671875 0.19 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14591 291.002960205078 215600.65625 2.57 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14592 309.01318359375 13654.2666015625 0.16 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14593 364.542114257812 7702.04541015625 0.09 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14594 404.745391845703 7731.3017578125 0.09 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14595 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14596 RECORD_TITLE: MZ:401.0603 | RT:34.2 | grpid:612 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14597 MS$FOCUSED_ION: PRECURSOR_M/Z 401.060333251953 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14598 AC$CHROMATOGRAPHY: RETENTION_TIME 34.1913918 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14599 XCMS groupid (grpid): 612 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14600 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14601 PK$NUM_PEAK: 23 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14602 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14603 116.995010375977 152569.53125 1.82 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14604 123.777450561523 8107.2958984375 0.1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14605 124.999740600586 60736.56640625 0.72 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14606 136.999847412109 264684 3.15 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14607 140.010818481445 98667.4140625 1.17 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14608 140.450241088867 8842.6044921875 0.11 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14609 155.010284423828 8400667 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14610 173.020843505859 720799.75 8.58 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14611 178.950073242188 34890.97265625 0.42 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14612 195.501876831055 7862.93017578125 0.09 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14613 196.036972045898 55461.46484375 0.66 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14614 211.036422729492 526707.8125 6.27 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14615 216.965789794922 140906.8125 1.68 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14616 222.872299194336 7800.2646484375 0.09 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14617 229.046951293945 499441.21875 5.95 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14618 229.070068359375 19001.33984375 0.23 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14619 234.976547241211 646214.5 7.69 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14620 247.057281494141 127103.421875 1.51 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14621 257.992340087891 16358.1513671875 0.19 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14622 291.002960205078 215600.65625 2.57 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14623 309.01318359375 13654.2666015625 0.16 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14624 364.542114257812 7702.04541015625 0.09 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14625 404.745391845703 7731.3017578125 0.09 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14626 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14627 RECORD_TITLE: MZ:401.0604 | RT:34.2 | grpid:612 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14628 MS$FOCUSED_ION: PRECURSOR_M/Z 401.060363769531 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14629 AC$CHROMATOGRAPHY: RETENTION_TIME 34.1913918 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14630 XCMS groupid (grpid): 612 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14631 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14632 PK$NUM_PEAK: 15 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14633 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14634 100.988807678223 40817.30859375 25.9 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14635 101.309761047363 3056.51245117188 1.94 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14636 141.789901733398 3405.86743164062 2.16 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14637 155.010375976562 157578.765625 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14638 156.01383972168 16251.8291015625 10.31 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14639 157.014694213867 89120.7421875 56.56 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14640 173.020965576172 6775.59033203125 4.3 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14641 175.025650024414 12913.28515625 8.19 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14642 211.03694152832 5124.314453125 3.25 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14643 213.039443969727 4484.9384765625 2.85 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14644 229.047058105469 4443.03955078125 2.82 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14645 231.051651000977 4658.02783203125 2.96 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14646 236.980819702148 4265.56103515625 2.71 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14647 254.277374267578 4000.4482421875 2.54 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14648 373.381866455078 3680.00122070312 2.34 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14649 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14650 RECORD_TITLE: MZ:401.0604 | RT:34.2 | grpid:612 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14651 MS$FOCUSED_ION: PRECURSOR_M/Z 401.060363769531 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14652 AC$CHROMATOGRAPHY: RETENTION_TIME 34.1913918 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14653 XCMS groupid (grpid): 612 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14654 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14655 PK$NUM_PEAK: 15 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14656 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14657 100.988807678223 40817.30859375 25.9 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14658 101.309761047363 3056.51245117188 1.94 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14659 141.789901733398 3405.86743164062 2.16 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14660 155.010375976562 157578.765625 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14661 156.01383972168 16251.8291015625 10.31 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14662 157.014694213867 89120.7421875 56.56 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14663 173.020965576172 6775.59033203125 4.3 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14664 175.025650024414 12913.28515625 8.19 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14665 211.03694152832 5124.314453125 3.25 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14666 213.039443969727 4484.9384765625 2.85 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14667 229.047058105469 4443.03955078125 2.82 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14668 231.051651000977 4658.02783203125 2.96 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14669 236.980819702148 4265.56103515625 2.71 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14670 254.277374267578 4000.4482421875 2.54 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14671 373.381866455078 3680.00122070312 2.34 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14672 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14673 RECORD_TITLE: MZ:404.1419 | RT:126.2 | grpid:618 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14674 MS$FOCUSED_ION: PRECURSOR_M/Z 404.141937255859 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14675 AC$CHROMATOGRAPHY: RETENTION_TIME 126.186204 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14676 XCMS groupid (grpid): 618 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14677 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14678 PK$NUM_PEAK: 8 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14679 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14680 136.051010131836 4214.84375 1.66 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14681 136.061798095703 154229.46875 60.57 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14682 137.045776367188 254645.9375 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14683 152.028915405273 3706.61962890625 1.46 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14684 176.857574462891 3244.943359375 1.27 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14685 191.558868408203 3635.75805664062 1.43 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14686 215.409362792969 3903.9443359375 1.53 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14687 254.295944213867 4236.8359375 1.66 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14688 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14689 RECORD_TITLE: MZ:404.1419 | RT:126.2 | grpid:618 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14690 MS$FOCUSED_ION: PRECURSOR_M/Z 404.141937255859 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14691 AC$CHROMATOGRAPHY: RETENTION_TIME 126.186204 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14692 XCMS groupid (grpid): 618 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14693 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14694 PK$NUM_PEAK: 8 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14695 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14696 136.051010131836 4214.84375 1.66 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14697 136.061798095703 154229.46875 60.57 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14698 137.045776367188 254645.9375 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14699 152.028915405273 3706.61962890625 1.46 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14700 176.857574462891 3244.943359375 1.27 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14701 191.558868408203 3635.75805664062 1.43 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14702 215.409362792969 3903.9443359375 1.53 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14703 254.295944213867 4236.8359375 1.66 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14704 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14705 RECORD_TITLE: MZ:404.1418 | RT:126.4 | grpid:618 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14706 MS$FOCUSED_ION: PRECURSOR_M/Z 404.141845703125 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14707 AC$CHROMATOGRAPHY: RETENTION_TIME 126.441198 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14708 XCMS groupid (grpid): 618 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14709 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14710 PK$NUM_PEAK: 6 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14711 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14712 136.061737060547 186923.140625 67.72 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14713 137.045791625977 276035.78125 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14714 149.350723266602 2960.25122070312 1.07 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14715 155.559341430664 3138.55590820312 1.14 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14716 207.745498657227 2866.4462890625 1.04 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14717 305.455352783203 3670.34033203125 1.33 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14718 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14719 RECORD_TITLE: MZ:404.1418 | RT:126.4 | grpid:618 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14720 MS$FOCUSED_ION: PRECURSOR_M/Z 404.141845703125 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14721 AC$CHROMATOGRAPHY: RETENTION_TIME 126.441198 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14722 XCMS groupid (grpid): 618 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14723 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14724 PK$NUM_PEAK: 6 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14725 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14726 136.061737060547 186923.140625 67.72 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14727 137.045791625977 276035.78125 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14728 149.350723266602 2960.25122070312 1.07 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14729 155.559341430664 3138.55590820312 1.14 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14730 207.745498657227 2866.4462890625 1.04 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14731 305.455352783203 3670.34033203125 1.33 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14732 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14733 RECORD_TITLE: MZ:407.2017 | RT:72.2 | grpid:625 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14734 MS$FOCUSED_ION: PRECURSOR_M/Z 407.20166015625 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14735 AC$CHROMATOGRAPHY: RETENTION_TIME 72.171048 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14736 XCMS groupid (grpid): 625 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14737 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14738 PK$NUM_PEAK: 31 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14739 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14740 102.055419921875 29241.109375 5.9 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14741 104.053215026855 36839.7578125 7.44 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14742 109.02864074707 18452.52734375 3.72 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14743 111.270988464355 3561.50805664062 0.72 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14744 116.052536010742 3233.939453125 0.65 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14745 116.070777893066 13699.947265625 2.77 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14746 126.055152893066 96099.703125 19.4 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14747 127.451728820801 3604.42553710938 0.73 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14748 130.050262451172 4331.92431640625 0.87 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14749 132.102096557617 40127.29296875 8.1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14750 138.054977416992 495429.3125 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14751 143.08235168457 5169.75390625 1.04 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14752 144.0654296875 110722.25 22.35 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14753 144.076126098633 5807.7001953125 1.17 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14754 159.075912475586 12614.484375 2.55 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14755 161.074722290039 4780.4208984375 0.96 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14756 163.027908325195 3617.16259765625 0.73 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14757 168.065414428711 104829.1171875 21.16 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14758 171.076583862305 7918.15283203125 1.6 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14759 173.12809753418 6250.19384765625 1.26 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14760 179.168167114258 3541.37573242188 0.71 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14761 186.075805664062 92374.96875 18.65 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14762 187.071105957031 19836.36328125 4 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14763 189.06901550293 20552.5390625 4.15 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14764 189.086181640625 6041.65234375 1.22 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14765 201.086990356445 23055.71875 4.65 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14766 270.140502929688 3485.42749023438 0.7 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14767 276.108459472656 36373.86328125 7.34 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14768 293.534423828125 3759.82836914062 0.76 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14769 302.942840576172 3783.8955078125 0.76 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14770 344.885498046875 3337.09936523438 0.67 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14771 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14772 RECORD_TITLE: MZ:407.2017 | RT:72.2 | grpid:625 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14773 MS$FOCUSED_ION: PRECURSOR_M/Z 407.20166015625 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14774 AC$CHROMATOGRAPHY: RETENTION_TIME 72.171048 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14775 XCMS groupid (grpid): 625 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14776 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14777 PK$NUM_PEAK: 31 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14778 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14779 102.055419921875 29241.109375 5.9 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14780 104.053215026855 36839.7578125 7.44 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14781 109.02864074707 18452.52734375 3.72 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14782 111.270988464355 3561.50805664062 0.72 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14783 116.052536010742 3233.939453125 0.65 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14784 116.070777893066 13699.947265625 2.77 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14785 126.055152893066 96099.703125 19.4 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14786 127.451728820801 3604.42553710938 0.73 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14787 130.050262451172 4331.92431640625 0.87 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14788 132.102096557617 40127.29296875 8.1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14789 138.054977416992 495429.3125 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14790 143.08235168457 5169.75390625 1.04 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14791 144.0654296875 110722.25 22.35 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14792 144.076126098633 5807.7001953125 1.17 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14793 159.075912475586 12614.484375 2.55 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14794 161.074722290039 4780.4208984375 0.96 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14795 163.027908325195 3617.16259765625 0.73 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14796 168.065414428711 104829.1171875 21.16 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14797 171.076583862305 7918.15283203125 1.6 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14798 173.12809753418 6250.19384765625 1.26 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14799 179.168167114258 3541.37573242188 0.71 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14800 186.075805664062 92374.96875 18.65 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14801 187.071105957031 19836.36328125 4 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14802 189.06901550293 20552.5390625 4.15 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14803 189.086181640625 6041.65234375 1.22 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14804 201.086990356445 23055.71875 4.65 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14805 270.140502929688 3485.42749023438 0.7 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14806 276.108459472656 36373.86328125 7.34 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14807 293.534423828125 3759.82836914062 0.76 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14808 302.942840576172 3783.8955078125 0.76 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14809 344.885498046875 3337.09936523438 0.67 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14810 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14811 RECORD_TITLE: MZ:414.2344 | RT:113.6 | grpid:641 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14812 MS$FOCUSED_ION: PRECURSOR_M/Z 414.234375 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14813 AC$CHROMATOGRAPHY: RETENTION_TIME 113.597328 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14814 XCMS groupid (grpid): 641 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14815 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14816 PK$NUM_PEAK: 11 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14817 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14818 101.072120666504 3460.662109375 2.89 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14819 130.050003051758 23700.412109375 19.76 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14820 143.118316650391 6467.0634765625 5.39 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14821 147.076400756836 57435.73046875 47.89 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14822 171.114654541016 3607.89379882812 3.01 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14823 187.107620239258 12488.6435546875 10.41 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14824 212.347091674805 2953.01245117188 2.46 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14825 227.102462768555 13762.5078125 11.47 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14826 244.129257202148 119940.1875 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14827 291.886047363281 3740.046875 3.12 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14828 299.767974853516 4064.77465820312 3.39 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14829 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14830 RECORD_TITLE: MZ:414.2344 | RT:113.6 | grpid:641 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14831 MS$FOCUSED_ION: PRECURSOR_M/Z 414.234375 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14832 AC$CHROMATOGRAPHY: RETENTION_TIME 113.597328 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14833 XCMS groupid (grpid): 641 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14834 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14835 PK$NUM_PEAK: 11 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14836 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14837 101.072120666504 3460.662109375 2.89 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14838 130.050003051758 23700.412109375 19.76 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14839 143.118316650391 6467.0634765625 5.39 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14840 147.076400756836 57435.73046875 47.89 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14841 171.114654541016 3607.89379882812 3.01 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14842 187.107620239258 12488.6435546875 10.41 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14843 212.347091674805 2953.01245117188 2.46 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14844 227.102462768555 13762.5078125 11.47 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14845 244.129257202148 119940.1875 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14846 291.886047363281 3740.046875 3.12 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14847 299.767974853516 4064.77465820312 3.39 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14848 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14849 RECORD_TITLE: MZ:417.2086 | RT:77.5 | grpid:651 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14850 MS$FOCUSED_ION: PRECURSOR_M/Z 417.208648681641 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14851 AC$CHROMATOGRAPHY: RETENTION_TIME 77.474424 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14852 XCMS groupid (grpid): 651 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14853 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14854 PK$NUM_PEAK: 50 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14855 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14856 101.071632385254 21183.01171875 8.79 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14857 110.024345397949 4356.50732421875 1.81 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14858 115.050491333008 95092.8828125 39.44 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14859 115.058029174805 5113.0302734375 2.12 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14860 125.035163879395 3798.44970703125 1.58 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14861 128.03466796875 7057.6240234375 2.93 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14862 129.066192626953 14344.888671875 5.95 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14863 132.076797485352 241117.15625 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14864 136.039596557617 19952.20703125 8.27 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14865 138.091293334961 7483.42236328125 3.1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14866 139.050628662109 14222.2255859375 5.9 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14867 139.131530761719 3395.9853515625 1.41 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14868 153.06575012207 6803.0126953125 2.82 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14869 156.076614379883 6305.38037109375 2.62 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14870 164.034301757812 8484.1953125 3.52 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14871 167.044952392578 8397.5390625 3.48 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14872 170.983276367188 3608.68090820312 1.5 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14873 181.060546875 27577.30859375 11.44 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14874 182.129257202148 23290.46875 9.66 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14875 183.112838745117 27057.6171875 11.22 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14876 183.282043457031 3755.23095703125 1.56 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14877 184.071365356445 23913.513671875 9.92 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14878 185.092208862305 13970.9443359375 5.79 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14879 198.087966918945 5590.96142578125 2.32 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14880 201.086441040039 5095.77099609375 2.11 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14881 209.055572509766 59876.9453125 24.83 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14882 211.107772827148 12975.3623046875 5.38 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14883 213.087799072266 5400.66064453125 2.24 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14884 215.114074707031 5145.68017578125 2.13 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14885 220.108795166016 14700.2373046875 6.1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14886 221.093078613281 4728.6259765625 1.96 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14887 226.082061767578 96564.5859375 40.05 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14888 226.604354858398 3716.79638671875 1.54 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14889 237.134994506836 4390.27392578125 1.82 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14890 238.118011474609 13940.3623046875 5.78 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14891 243.108535766602 103141.328125 42.78 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14892 263.102355957031 24783.052734375 10.28 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14893 266.114227294922 19456.26953125 8.07 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14894 279.144805908203 32799.67578125 13.6 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14895 280.128326416016 29510.955078125 12.24 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14896 283.140472412109 6341.9501953125 2.63 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14897 285.156372070312 5746.60009765625 2.38 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14898 303.174591064453 3790.90161132812 1.57 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14899 304.180053710938 17383.96875 7.21 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14900 308.125305175781 15675.556640625 6.5 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14901 324.118499755859 8504.177734375 3.53 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14902 325.152770996094 6104.4619140625 2.53 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14903 342.175933837891 6313.189453125 2.62 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14904 372.336669921875 3619.55493164062 1.5 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14905 382.172210693359 4940.5458984375 2.05 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14906 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14907 RECORD_TITLE: MZ:417.2086 | RT:77.5 | grpid:651 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14908 MS$FOCUSED_ION: PRECURSOR_M/Z 417.208648681641 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14909 AC$CHROMATOGRAPHY: RETENTION_TIME 77.474424 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14910 XCMS groupid (grpid): 651 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14911 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14912 PK$NUM_PEAK: 50 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14913 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14914 101.071632385254 21183.01171875 8.79 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14915 110.024345397949 4356.50732421875 1.81 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14916 115.050491333008 95092.8828125 39.44 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14917 115.058029174805 5113.0302734375 2.12 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14918 125.035163879395 3798.44970703125 1.58 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14919 128.03466796875 7057.6240234375 2.93 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14920 129.066192626953 14344.888671875 5.95 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14921 132.076797485352 241117.15625 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14922 136.039596557617 19952.20703125 8.27 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14923 138.091293334961 7483.42236328125 3.1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14924 139.050628662109 14222.2255859375 5.9 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14925 139.131530761719 3395.9853515625 1.41 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14926 153.06575012207 6803.0126953125 2.82 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14927 156.076614379883 6305.38037109375 2.62 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14928 164.034301757812 8484.1953125 3.52 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14929 167.044952392578 8397.5390625 3.48 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14930 170.983276367188 3608.68090820312 1.5 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14931 181.060546875 27577.30859375 11.44 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14932 182.129257202148 23290.46875 9.66 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14933 183.112838745117 27057.6171875 11.22 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14934 183.282043457031 3755.23095703125 1.56 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14935 184.071365356445 23913.513671875 9.92 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14936 185.092208862305 13970.9443359375 5.79 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14937 198.087966918945 5590.96142578125 2.32 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14938 201.086441040039 5095.77099609375 2.11 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14939 209.055572509766 59876.9453125 24.83 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14940 211.107772827148 12975.3623046875 5.38 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14941 213.087799072266 5400.66064453125 2.24 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14942 215.114074707031 5145.68017578125 2.13 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14943 220.108795166016 14700.2373046875 6.1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14944 221.093078613281 4728.6259765625 1.96 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14945 226.082061767578 96564.5859375 40.05 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14946 226.604354858398 3716.79638671875 1.54 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14947 237.134994506836 4390.27392578125 1.82 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14948 238.118011474609 13940.3623046875 5.78 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14949 243.108535766602 103141.328125 42.78 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14950 263.102355957031 24783.052734375 10.28 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14951 266.114227294922 19456.26953125 8.07 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14952 279.144805908203 32799.67578125 13.6 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14953 280.128326416016 29510.955078125 12.24 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14954 283.140472412109 6341.9501953125 2.63 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14955 285.156372070312 5746.60009765625 2.38 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14956 303.174591064453 3790.90161132812 1.57 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14957 304.180053710938 17383.96875 7.21 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14958 308.125305175781 15675.556640625 6.5 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14959 324.118499755859 8504.177734375 3.53 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14960 325.152770996094 6104.4619140625 2.53 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14961 342.175933837891 6313.189453125 2.62 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14962 372.336669921875 3619.55493164062 1.5 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14963 382.172210693359 4940.5458984375 2.05 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14964 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14965 RECORD_TITLE: MZ:422.249 | RT:77.3 | grpid:661 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14966 MS$FOCUSED_ION: PRECURSOR_M/Z 422.2490234375 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14967 AC$CHROMATOGRAPHY: RETENTION_TIME 77.267322 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14968 XCMS groupid (grpid): 661 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14969 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14970 PK$NUM_PEAK: 11 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14971 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14972 102.055618286133 3558.69995117188 20.47 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14973 120.081420898438 3910.62768554688 22.49 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14974 132.10188293457 4685.72998046875 26.95 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14975 139.996002197266 3161.169921875 18.18 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14976 164.107666015625 5133.0185546875 29.52 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14977 169.504211425781 3314.57250976562 19.06 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14978 230.140182495117 3358.00244140625 19.31 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14979 241.255187988281 3994.02172851562 22.97 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14980 243.135986328125 4222.09765625 24.28 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14981 339.154357910156 17388.83984375 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14982 387.176788330078 4423.681640625 25.44 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14983 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14984 RECORD_TITLE: MZ:422.249 | RT:77.3 | grpid:661 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14985 MS$FOCUSED_ION: PRECURSOR_M/Z 422.2490234375 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14986 AC$CHROMATOGRAPHY: RETENTION_TIME 77.267322 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14987 XCMS groupid (grpid): 661 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14988 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14989 PK$NUM_PEAK: 11 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14990 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14991 102.055618286133 3558.69995117188 20.47 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14992 120.081420898438 3910.62768554688 22.49 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14993 132.10188293457 4685.72998046875 26.95 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14994 139.996002197266 3161.169921875 18.18 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14995 164.107666015625 5133.0185546875 29.52 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14996 169.504211425781 3314.57250976562 19.06 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14997 230.140182495117 3358.00244140625 19.31 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14998 241.255187988281 3994.02172851562 22.97 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14999 243.135986328125 4222.09765625 24.28 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15000 339.154357910156 17388.83984375 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15001 387.176788330078 4423.681640625 25.44 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15002 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15003 RECORD_TITLE: MZ:422.249 | RT:77.5 | grpid:661 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15004 MS$FOCUSED_ION: PRECURSOR_M/Z 422.248962402344 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15005 AC$CHROMATOGRAPHY: RETENTION_TIME 77.474424 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15006 XCMS groupid (grpid): 661 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15007 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15008 PK$NUM_PEAK: 12 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15009 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15010 120.080558776855 4530.3798828125 17.86 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15011 132.1025390625 3071.50122070312 12.11 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15012 152.552886962891 3656.74609375 14.41 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15013 164.107437133789 5435.71533203125 21.43 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15014 174.759521484375 3360.31762695312 13.25 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15015 243.135345458984 3760.61889648438 14.82 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15016 244.20588684082 3930.2548828125 15.49 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15017 267.45654296875 4267.03759765625 16.82 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15018 339.155120849609 25369.70703125 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15019 404.268035888672 3815.27880859375 15.04 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15020 438.548736572266 3631.70874023438 14.32 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15021 442.898986816406 3885.36962890625 15.31 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15022 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15023 RECORD_TITLE: MZ:422.249 | RT:77.5 | grpid:661 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15024 MS$FOCUSED_ION: PRECURSOR_M/Z 422.248962402344 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15025 AC$CHROMATOGRAPHY: RETENTION_TIME 77.474424 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15026 XCMS groupid (grpid): 661 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15027 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15028 PK$NUM_PEAK: 12 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15029 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15030 120.080558776855 4530.3798828125 17.86 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15031 132.1025390625 3071.50122070312 12.11 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15032 152.552886962891 3656.74609375 14.41 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15033 164.107437133789 5435.71533203125 21.43 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15034 174.759521484375 3360.31762695312 13.25 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15035 243.135345458984 3760.61889648438 14.82 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15036 244.20588684082 3930.2548828125 15.49 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15037 267.45654296875 4267.03759765625 16.82 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15038 339.155120849609 25369.70703125 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15039 404.268035888672 3815.27880859375 15.04 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15040 438.548736572266 3631.70874023438 14.32 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15041 442.898986816406 3885.36962890625 15.31 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15042 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15043 RECORD_TITLE: MZ:423.1868 | RT:84.2 | grpid:664 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15044 MS$FOCUSED_ION: PRECURSOR_M/Z 423.186798095703 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15045 AC$CHROMATOGRAPHY: RETENTION_TIME 84.215802 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15046 XCMS groupid (grpid): 664 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15047 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15048 PK$NUM_PEAK: 25 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15049 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15050 101.071411132812 46732.83203125 5.16 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15051 102.055374145508 88983.625 9.83 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15052 103.054443359375 24983.80859375 2.76 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15053 105.530052185059 3419.52978515625 0.38 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15054 110.183616638184 3628.88647460938 0.4 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15055 120.081016540527 905217.25 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15056 129.066268920898 31941.962890625 3.53 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15057 130.049987792969 396376.3125 43.79 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15058 131.049407958984 5914.91162109375 0.65 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15059 147.076416015625 280807.375 31.02 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15060 172.265274047852 3955.26342773438 0.44 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15061 186.091079711914 48435.109375 5.35 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15062 195.076812744141 14915.5986328125 1.65 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15063 204.101287841797 5574.19091796875 0.62 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15064 206.006805419922 3512.30712890625 0.39 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15065 213.086929321289 7143.0380859375 0.79 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15066 223.071517944336 24099.07421875 2.66 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15067 231.111724853516 4500.54296875 0.5 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15068 240.097366333008 25176.005859375 2.78 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15069 241.081497192383 67114.1484375 7.41 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15070 249.123306274414 153377.234375 16.94 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15071 258.108184814453 74684.1171875 8.25 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15072 276.116180419922 4201.1201171875 0.46 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15073 277.118377685547 22414.9140625 2.48 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15074 410.809265136719 3803.65478515625 0.42 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15075 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15076 RECORD_TITLE: MZ:423.1868 | RT:84.2 | grpid:664 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15077 MS$FOCUSED_ION: PRECURSOR_M/Z 423.186798095703 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15078 AC$CHROMATOGRAPHY: RETENTION_TIME 84.215802 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15079 XCMS groupid (grpid): 664 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15080 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15081 PK$NUM_PEAK: 25 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15082 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15083 101.071411132812 46732.83203125 5.16 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15084 102.055374145508 88983.625 9.83 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15085 103.054443359375 24983.80859375 2.76 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15086 105.530052185059 3419.52978515625 0.38 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15087 110.183616638184 3628.88647460938 0.4 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15088 120.081016540527 905217.25 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15089 129.066268920898 31941.962890625 3.53 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15090 130.049987792969 396376.3125 43.79 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15091 131.049407958984 5914.91162109375 0.65 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15092 147.076416015625 280807.375 31.02 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15093 172.265274047852 3955.26342773438 0.44 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15094 186.091079711914 48435.109375 5.35 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15095 195.076812744141 14915.5986328125 1.65 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15096 204.101287841797 5574.19091796875 0.62 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15097 206.006805419922 3512.30712890625 0.39 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15098 213.086929321289 7143.0380859375 0.79 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15099 223.071517944336 24099.07421875 2.66 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15100 231.111724853516 4500.54296875 0.5 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15101 240.097366333008 25176.005859375 2.78 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15102 241.081497192383 67114.1484375 7.41 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15103 249.123306274414 153377.234375 16.94 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15104 258.108184814453 74684.1171875 8.25 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15105 276.116180419922 4201.1201171875 0.46 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15106 277.118377685547 22414.9140625 2.48 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15107 410.809265136719 3803.65478515625 0.42 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15108 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15109 RECORD_TITLE: MZ:429.1367 | RT:71.2 | grpid:678 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15110 MS$FOCUSED_ION: PRECURSOR_M/Z 429.136749267578 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15111 AC$CHROMATOGRAPHY: RETENTION_TIME 71.233434 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15112 XCMS groupid (grpid): 678 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15113 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15114 PK$NUM_PEAK: 34 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15115 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15116 100.719017028809 3763.74951171875 0.58 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15117 109.076683044434 18840.978515625 2.91 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15118 110.071876525879 18479.02734375 2.85 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15119 112.021873474121 78056.578125 12.04 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15120 114.037590026855 15555.1708984375 2.4 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15121 122.071655273438 7511.3359375 1.16 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15122 126.549896240234 3256.05395507812 0.5 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15123 127.032569885254 457077.0625 70.5 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15124 128.040374755859 648347.875 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15125 129.048141479492 51665.93359375 7.97 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15126 136.087417602539 19430.15625 3 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15127 137.09489440918 21665.439453125 3.34 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15128 138.102462768555 31454.048828125 4.85 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15129 139.032348632812 69653.890625 10.74 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15130 140.147064208984 3347.60473632812 0.52 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15131 141.048049926758 132073.6875 20.37 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15132 145.079452514648 3976.85620117188 0.61 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15133 155.081192016602 30549.0234375 4.71 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15134 160.029907226562 30861.3671875 4.76 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15135 164.081466674805 7815.2744140625 1.21 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15136 167.027679443359 6606.12353515625 1.02 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15137 168.059814453125 8062.05712890625 1.24 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15138 169.067153930664 6428.11572265625 0.99 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15139 170.07453918457 153756.453125 23.72 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15140 182.092361450195 359509.125 55.45 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15141 184.108322143555 22293.837890625 3.44 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15142 185.037658691406 81344.8984375 12.55 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15143 208.914321899414 3762.73291015625 0.58 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15144 212.58805847168 3808.69091796875 0.59 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15145 214.064086914062 37700.02734375 5.81 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15146 215.073211669922 13744.177734375 2.12 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15147 216.080032348633 237749.8125 36.67 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15148 217.347595214844 4307.0146484375 0.66 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15149 429.138000488281 48227.66796875 7.44 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15150 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15151 RECORD_TITLE: MZ:429.1367 | RT:71.2 | grpid:678 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15152 MS$FOCUSED_ION: PRECURSOR_M/Z 429.136749267578 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15153 AC$CHROMATOGRAPHY: RETENTION_TIME 71.233434 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15154 XCMS groupid (grpid): 678 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15155 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15156 PK$NUM_PEAK: 34 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15157 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15158 100.719017028809 3763.74951171875 0.58 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15159 109.076683044434 18840.978515625 2.91 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15160 110.071876525879 18479.02734375 2.85 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15161 112.021873474121 78056.578125 12.04 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15162 114.037590026855 15555.1708984375 2.4 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15163 122.071655273438 7511.3359375 1.16 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15164 126.549896240234 3256.05395507812 0.5 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15165 127.032569885254 457077.0625 70.5 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15166 128.040374755859 648347.875 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15167 129.048141479492 51665.93359375 7.97 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15168 136.087417602539 19430.15625 3 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15169 137.09489440918 21665.439453125 3.34 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15170 138.102462768555 31454.048828125 4.85 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15171 139.032348632812 69653.890625 10.74 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15172 140.147064208984 3347.60473632812 0.52 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15173 141.048049926758 132073.6875 20.37 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15174 145.079452514648 3976.85620117188 0.61 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15175 155.081192016602 30549.0234375 4.71 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15176 160.029907226562 30861.3671875 4.76 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15177 164.081466674805 7815.2744140625 1.21 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15178 167.027679443359 6606.12353515625 1.02 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15179 168.059814453125 8062.05712890625 1.24 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15180 169.067153930664 6428.11572265625 0.99 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15181 170.07453918457 153756.453125 23.72 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15182 182.092361450195 359509.125 55.45 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15183 184.108322143555 22293.837890625 3.44 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15184 185.037658691406 81344.8984375 12.55 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15185 208.914321899414 3762.73291015625 0.58 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15186 212.58805847168 3808.69091796875 0.59 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15187 214.064086914062 37700.02734375 5.81 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15188 215.073211669922 13744.177734375 2.12 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15189 216.080032348633 237749.8125 36.67 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15190 217.347595214844 4307.0146484375 0.66 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15191 429.138000488281 48227.66796875 7.44 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15192 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15193 RECORD_TITLE: MZ:429.1367 | RT:71.2 | grpid:678 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15194 MS$FOCUSED_ION: PRECURSOR_M/Z 429.136657714844 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15195 AC$CHROMATOGRAPHY: RETENTION_TIME 71.233434 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15196 XCMS groupid (grpid): 678 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15197 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15198 PK$NUM_PEAK: 33 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15199 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15200 109.076507568359 22044.865234375 3.31 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15201 112.021881103516 66717.8671875 10.01 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15202 114.025039672852 16686.34765625 2.5 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15203 114.03784942627 6451.80712890625 0.97 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15204 122.071868896484 6111.48876953125 0.92 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15205 127.032615661621 440292.4375 66.09 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15206 128.040405273438 666185.875 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15207 129.048217773438 59429.23046875 8.92 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15208 136.077117919922 5078.5029296875 0.76 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15209 136.087295532227 17557.265625 2.64 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15210 137.094985961914 34755.11328125 5.22 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15211 138.102890014648 20192.841796875 3.03 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15212 139.032318115234 79038.703125 11.86 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15213 141.048095703125 135454.359375 20.33 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15214 155.081649780273 32676.794921875 4.91 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15215 156.059188842773 3926.3798828125 0.59 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15216 160.030471801758 23645.40234375 3.55 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15217 164.082214355469 5227.69775390625 0.78 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15218 167.027481079102 8476.669921875 1.27 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15219 169.067855834961 4015.56958007812 0.6 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15220 170.074661254883 128845.4375 19.34 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15221 182.092468261719 363728.375 54.6 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15222 184.108291625977 17903.1328125 2.69 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15223 185.037673950195 76403.6640625 11.47 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15224 200.7451171875 3717.48681640625 0.56 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15225 214.064651489258 40731.85546875 6.11 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15226 215.071594238281 30723.140625 4.61 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15227 216.080001831055 235382.03125 35.33 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15228 220.97737121582 4221.736328125 0.63 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15229 328.149810791016 4235.30517578125 0.64 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15230 429.136077880859 48445.8046875 7.27 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15231 429.189208984375 7144.87353515625 1.07 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15232 443.335296630859 3914.4736328125 0.59 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15233 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15234 RECORD_TITLE: MZ:429.1367 | RT:71.2 | grpid:678 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15235 MS$FOCUSED_ION: PRECURSOR_M/Z 429.136657714844 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15236 AC$CHROMATOGRAPHY: RETENTION_TIME 71.233434 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15237 XCMS groupid (grpid): 678 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15238 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15239 PK$NUM_PEAK: 33 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15240 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15241 109.076507568359 22044.865234375 3.31 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15242 112.021881103516 66717.8671875 10.01 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15243 114.025039672852 16686.34765625 2.5 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15244 114.03784942627 6451.80712890625 0.97 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15245 122.071868896484 6111.48876953125 0.92 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15246 127.032615661621 440292.4375 66.09 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15247 128.040405273438 666185.875 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15248 129.048217773438 59429.23046875 8.92 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15249 136.077117919922 5078.5029296875 0.76 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15250 136.087295532227 17557.265625 2.64 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15251 137.094985961914 34755.11328125 5.22 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15252 138.102890014648 20192.841796875 3.03 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15253 139.032318115234 79038.703125 11.86 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15254 141.048095703125 135454.359375 20.33 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15255 155.081649780273 32676.794921875 4.91 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15256 156.059188842773 3926.3798828125 0.59 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15257 160.030471801758 23645.40234375 3.55 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15258 164.082214355469 5227.69775390625 0.78 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15259 167.027481079102 8476.669921875 1.27 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15260 169.067855834961 4015.56958007812 0.6 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15261 170.074661254883 128845.4375 19.34 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15262 182.092468261719 363728.375 54.6 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15263 184.108291625977 17903.1328125 2.69 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15264 185.037673950195 76403.6640625 11.47 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15265 200.7451171875 3717.48681640625 0.56 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15266 214.064651489258 40731.85546875 6.11 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15267 215.071594238281 30723.140625 4.61 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15268 216.080001831055 235382.03125 35.33 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15269 220.97737121582 4221.736328125 0.63 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15270 328.149810791016 4235.30517578125 0.64 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15271 429.136077880859 48445.8046875 7.27 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15272 429.189208984375 7144.87353515625 1.07 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15273 443.335296630859 3914.4736328125 0.59 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15274 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15275 RECORD_TITLE: MZ:429.1368 | RT:71.4 | grpid:678 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15276 MS$FOCUSED_ION: PRECURSOR_M/Z 429.136810302734 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15277 AC$CHROMATOGRAPHY: RETENTION_TIME 71.396808 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15278 XCMS groupid (grpid): 678 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15279 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15280 PK$NUM_PEAK: 32 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15281 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15282 100.022125244141 4625.44140625 0.64 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15283 109.076416015625 19346.69921875 2.69 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15284 110.071472167969 8704.068359375 1.21 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15285 110.401245117188 3418.24340820312 0.47 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15286 112.021965026855 87844.1875 12.2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15287 113.366981506348 3165.77563476562 0.44 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15288 114.024726867676 6157.892578125 0.86 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15289 114.037490844727 8374.06640625 1.16 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15290 122.071517944336 5513.88037109375 0.77 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15291 127.032569885254 459943.3125 63.89 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15292 128.040390014648 719854 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15293 129.048110961914 53584.71875 7.44 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15294 131.77490234375 3932.56909179688 0.55 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15295 136.086624145508 26817.744140625 3.73 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15296 137.094833374023 33191.3671875 4.61 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15297 138.102523803711 31406.271484375 4.36 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15298 139.032531738281 85316.6328125 11.85 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15299 140.118148803711 4881.15966796875 0.68 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15300 141.048004150391 152383.03125 21.17 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15301 155.081878662109 42803.56640625 5.95 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15302 156.059112548828 3953.724609375 0.55 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15303 160.029403686523 26025.349609375 3.62 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15304 164.081985473633 6645.40478515625 0.92 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15305 167.027862548828 4613.89794921875 0.64 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15306 170.074584960938 162332.828125 22.55 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15307 182.092346191406 357397.625 49.65 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15308 184.10823059082 20024.080078125 2.78 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15309 185.037933349609 71179.25 9.89 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15310 214.063705444336 40155.98046875 5.58 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15311 215.072799682617 20763.31640625 2.88 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15312 216.080032348633 214835.734375 29.84 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15313 429.137145996094 43531.05078125 6.05 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15314 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15315 RECORD_TITLE: MZ:429.1368 | RT:71.4 | grpid:678 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15316 MS$FOCUSED_ION: PRECURSOR_M/Z 429.136810302734 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15317 AC$CHROMATOGRAPHY: RETENTION_TIME 71.396808 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15318 XCMS groupid (grpid): 678 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15319 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15320 PK$NUM_PEAK: 32 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15321 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15322 100.022125244141 4625.44140625 0.64 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15323 109.076416015625 19346.69921875 2.69 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15324 110.071472167969 8704.068359375 1.21 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15325 110.401245117188 3418.24340820312 0.47 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15326 112.021965026855 87844.1875 12.2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15327 113.366981506348 3165.77563476562 0.44 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15328 114.024726867676 6157.892578125 0.86 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15329 114.037490844727 8374.06640625 1.16 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15330 122.071517944336 5513.88037109375 0.77 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15331 127.032569885254 459943.3125 63.89 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15332 128.040390014648 719854 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15333 129.048110961914 53584.71875 7.44 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15334 131.77490234375 3932.56909179688 0.55 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15335 136.086624145508 26817.744140625 3.73 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15336 137.094833374023 33191.3671875 4.61 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15337 138.102523803711 31406.271484375 4.36 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15338 139.032531738281 85316.6328125 11.85 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15339 140.118148803711 4881.15966796875 0.68 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15340 141.048004150391 152383.03125 21.17 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15341 155.081878662109 42803.56640625 5.95 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15342 156.059112548828 3953.724609375 0.55 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15343 160.029403686523 26025.349609375 3.62 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15344 164.081985473633 6645.40478515625 0.92 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15345 167.027862548828 4613.89794921875 0.64 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15346 170.074584960938 162332.828125 22.55 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15347 182.092346191406 357397.625 49.65 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15348 184.10823059082 20024.080078125 2.78 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15349 185.037933349609 71179.25 9.89 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15350 214.063705444336 40155.98046875 5.58 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15351 215.072799682617 20763.31640625 2.88 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15352 216.080032348633 214835.734375 29.84 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15353 429.137145996094 43531.05078125 6.05 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15354 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15355 RECORD_TITLE: MZ:429.1367 | RT:71.4 | grpid:678 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15356 MS$FOCUSED_ION: PRECURSOR_M/Z 429.136688232422 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15357 AC$CHROMATOGRAPHY: RETENTION_TIME 71.396808 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15358 XCMS groupid (grpid): 678 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15359 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15360 PK$NUM_PEAK: 38 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15361 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15362 107.576271057129 4735.4990234375 0.59 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15363 109.07649230957 21691.41796875 2.68 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15364 110.071670532227 13312.728515625 1.65 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15365 112.021759033203 87364.3046875 10.8 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15366 114.037368774414 16917.806640625 2.09 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15367 115.541198730469 3385.00244140625 0.42 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15368 121.469749450684 3152.97924804688 0.39 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15369 122.07152557373 6929.45947265625 0.86 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15370 126.233474731445 3327.49194335938 0.41 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15371 127.032577514648 527242.625 65.2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15372 128.040374755859 808653.5 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15373 129.048263549805 64529.76171875 7.98 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15374 129.066558837891 4622.013671875 0.57 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15375 136.077026367188 5215.736328125 0.64 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15376 136.086959838867 22264.021484375 2.75 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15377 137.094802856445 40026.484375 4.95 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15378 138.102523803711 30174.3828125 3.73 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15379 139.032348632812 74597.046875 9.22 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15380 140.118377685547 5621.3935546875 0.7 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15381 141.04801940918 154674.65625 19.13 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15382 142.019592285156 3923.31298828125 0.49 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15383 155.081085205078 37450.2578125 4.63 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15384 158.311553955078 3326.94677734375 0.41 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15385 160.030166625977 29954.84375 3.7 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15386 160.364395141602 3934.6845703125 0.49 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15387 164.08171081543 7851.50390625 0.97 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15388 167.027648925781 17623.96875 2.18 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15389 168.05908203125 4920.30078125 0.61 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15390 170.07453918457 172543.546875 21.34 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15391 182.092407226562 422166.375 52.21 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15392 184.107681274414 29921.416015625 3.7 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15393 185.037811279297 103199.3671875 12.76 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15394 192.237030029297 4258.80029296875 0.53 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15395 214.064086914062 41890.56640625 5.18 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15396 215.072387695312 30280.93359375 3.74 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15397 216.080032348633 273273.9375 33.79 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15398 429.138336181641 53041.6484375 6.56 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15399 429.190673828125 6378.42626953125 0.79 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15400 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15401 RECORD_TITLE: MZ:429.1367 | RT:71.4 | grpid:678 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15402 MS$FOCUSED_ION: PRECURSOR_M/Z 429.136688232422 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15403 AC$CHROMATOGRAPHY: RETENTION_TIME 71.396808 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15404 XCMS groupid (grpid): 678 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15405 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15406 PK$NUM_PEAK: 38 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15407 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15408 107.576271057129 4735.4990234375 0.59 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15409 109.07649230957 21691.41796875 2.68 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15410 110.071670532227 13312.728515625 1.65 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15411 112.021759033203 87364.3046875 10.8 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15412 114.037368774414 16917.806640625 2.09 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15413 115.541198730469 3385.00244140625 0.42 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15414 121.469749450684 3152.97924804688 0.39 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15415 122.07152557373 6929.45947265625 0.86 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15416 126.233474731445 3327.49194335938 0.41 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15417 127.032577514648 527242.625 65.2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15418 128.040374755859 808653.5 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15419 129.048263549805 64529.76171875 7.98 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15420 129.066558837891 4622.013671875 0.57 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15421 136.077026367188 5215.736328125 0.64 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15422 136.086959838867 22264.021484375 2.75 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15423 137.094802856445 40026.484375 4.95 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15424 138.102523803711 30174.3828125 3.73 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15425 139.032348632812 74597.046875 9.22 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15426 140.118377685547 5621.3935546875 0.7 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15427 141.04801940918 154674.65625 19.13 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15428 142.019592285156 3923.31298828125 0.49 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15429 155.081085205078 37450.2578125 4.63 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15430 158.311553955078 3326.94677734375 0.41 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15431 160.030166625977 29954.84375 3.7 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15432 160.364395141602 3934.6845703125 0.49 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15433 164.08171081543 7851.50390625 0.97 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15434 167.027648925781 17623.96875 2.18 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15435 168.05908203125 4920.30078125 0.61 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15436 170.07453918457 172543.546875 21.34 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15437 182.092407226562 422166.375 52.21 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15438 184.107681274414 29921.416015625 3.7 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15439 185.037811279297 103199.3671875 12.76 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15440 192.237030029297 4258.80029296875 0.53 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15441 214.064086914062 41890.56640625 5.18 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15442 215.072387695312 30280.93359375 3.74 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15443 216.080032348633 273273.9375 33.79 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15444 429.138336181641 53041.6484375 6.56 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15445 429.190673828125 6378.42626953125 0.79 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15446 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15447 RECORD_TITLE: MZ:436.2162 | RT:113.6 | grpid:699 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15448 MS$FOCUSED_ION: PRECURSOR_M/Z 436.216247558594 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15449 AC$CHROMATOGRAPHY: RETENTION_TIME 113.597328 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15450 XCMS groupid (grpid): 699 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15451 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15452 PK$NUM_PEAK: 10 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15453 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15454 114.550689697266 3498.04321289062 3.12 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15455 126.055046081543 4136.9013671875 3.69 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15456 198.05632019043 3261.10668945312 2.91 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15457 211.105438232422 20831.2734375 18.6 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15458 238.933578491211 3566.369140625 3.18 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15459 308.157409667969 49625.7265625 44.32 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15460 308.725555419922 3355.22119140625 3 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15461 391.194641113281 36035.12109375 32.18 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15462 419.187896728516 22114.62890625 19.75 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15463 436.216918945312 111983.46875 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15464 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15465 RECORD_TITLE: MZ:436.2162 | RT:113.6 | grpid:699 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15466 MS$FOCUSED_ION: PRECURSOR_M/Z 436.216247558594 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15467 AC$CHROMATOGRAPHY: RETENTION_TIME 113.597328 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15468 XCMS groupid (grpid): 699 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15469 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15470 PK$NUM_PEAK: 10 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15471 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15472 114.550689697266 3498.04321289062 3.12 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15473 126.055046081543 4136.9013671875 3.69 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15474 198.05632019043 3261.10668945312 2.91 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15475 211.105438232422 20831.2734375 18.6 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15476 238.933578491211 3566.369140625 3.18 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15477 308.157409667969 49625.7265625 44.32 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15478 308.725555419922 3355.22119140625 3 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15479 391.194641113281 36035.12109375 32.18 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15480 419.187896728516 22114.62890625 19.75 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15481 436.216918945312 111983.46875 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15482 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15483 RECORD_TITLE: MZ:437.26 | RT:82.7 | grpid:705 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15484 MS$FOCUSED_ION: PRECURSOR_M/Z 437.259979248047 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15485 AC$CHROMATOGRAPHY: RETENTION_TIME 82.686066 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15486 XCMS groupid (grpid): 705 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15487 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15488 PK$NUM_PEAK: 10 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15489 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15490 132.101959228516 26250.365234375 82.02 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15491 147.764419555664 3555.626953125 11.11 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15492 173.128616333008 14910.4609375 46.59 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15493 219.134216308594 19101.32421875 59.68 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15494 237.121032714844 7274.22998046875 22.73 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15495 241.079193115234 6411.599609375 20.03 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15496 272.117065429688 3352.75439453125 10.48 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15497 338.132080078125 19161.25 59.87 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15498 434.605041503906 3691.54809570312 11.53 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15499 437.200073242188 32005.328125 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15500 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15501 RECORD_TITLE: MZ:437.26 | RT:82.7 | grpid:705 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15502 MS$FOCUSED_ION: PRECURSOR_M/Z 437.259979248047 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15503 AC$CHROMATOGRAPHY: RETENTION_TIME 82.686066 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15504 XCMS groupid (grpid): 705 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15505 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15506 PK$NUM_PEAK: 10 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15507 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15508 132.101959228516 26250.365234375 82.02 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15509 147.764419555664 3555.626953125 11.11 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15510 173.128616333008 14910.4609375 46.59 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15511 219.134216308594 19101.32421875 59.68 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15512 237.121032714844 7274.22998046875 22.73 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15513 241.079193115234 6411.599609375 20.03 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15514 272.117065429688 3352.75439453125 10.48 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15515 338.132080078125 19161.25 59.87 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15516 434.605041503906 3691.54809570312 11.53 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15517 437.200073242188 32005.328125 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15518 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15519 RECORD_TITLE: MZ:437.26 | RT:82.9 | grpid:705 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15520 MS$FOCUSED_ION: PRECURSOR_M/Z 437.260040283203 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15521 AC$CHROMATOGRAPHY: RETENTION_TIME 82.86993 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15522 XCMS groupid (grpid): 705 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15523 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15524 PK$NUM_PEAK: 17 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15525 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15526 101.581962585449 3264.87109375 10.21 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15527 116.071166992188 3482.65063476562 10.89 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15528 132.102020263672 19473.271484375 60.91 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15529 140.506622314453 3661.59790039062 11.45 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15530 166.32194519043 3513.9169921875 10.99 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15531 173.128753662109 15184.3408203125 47.5 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15532 190.630355834961 3462.4130859375 10.83 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15533 219.134170532227 18775.388671875 58.73 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15534 223.021774291992 3237.18212890625 10.13 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15535 237.121124267578 13793.3681640625 43.15 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15536 241.079345703125 14506.5341796875 45.38 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15537 272.986541748047 3474.1796875 10.87 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15538 298.806793212891 3269.32861328125 10.23 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15539 319.409149169922 3631.1552734375 11.36 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15540 328.813140869141 3904.8525390625 12.21 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15541 338.132141113281 23234.115234375 72.68 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15542 437.202575683594 31969.298828125 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15543 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15544 RECORD_TITLE: MZ:437.26 | RT:82.9 | grpid:705 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15545 MS$FOCUSED_ION: PRECURSOR_M/Z 437.260040283203 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15546 AC$CHROMATOGRAPHY: RETENTION_TIME 82.86993 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15547 XCMS groupid (grpid): 705 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15548 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15549 PK$NUM_PEAK: 17 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15550 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15551 101.581962585449 3264.87109375 10.21 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15552 116.071166992188 3482.65063476562 10.89 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15553 132.102020263672 19473.271484375 60.91 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15554 140.506622314453 3661.59790039062 11.45 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15555 166.32194519043 3513.9169921875 10.99 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15556 173.128753662109 15184.3408203125 47.5 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15557 190.630355834961 3462.4130859375 10.83 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15558 219.134170532227 18775.388671875 58.73 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15559 223.021774291992 3237.18212890625 10.13 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15560 237.121124267578 13793.3681640625 43.15 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15561 241.079345703125 14506.5341796875 45.38 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15562 272.986541748047 3474.1796875 10.87 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15563 298.806793212891 3269.32861328125 10.23 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15564 319.409149169922 3631.1552734375 11.36 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15565 328.813140869141 3904.8525390625 12.21 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15566 338.132141113281 23234.115234375 72.68 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15567 437.202575683594 31969.298828125 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15568 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15569 RECORD_TITLE: MZ:452.1902 | RT:112.8 | grpid:739 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15570 MS$FOCUSED_ION: PRECURSOR_M/Z 452.190155029297 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15571 AC$CHROMATOGRAPHY: RETENTION_TIME 112.786446 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15572 XCMS groupid (grpid): 739 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15573 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15574 PK$NUM_PEAK: 4 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15575 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15576 173.128677368164 4687.68310546875 10.24 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15577 242.185913085938 4649.87841796875 10.16 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15578 431.172515869141 3883.38818359375 8.48 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15579 452.188873291016 45768.69140625 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15580 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15581 RECORD_TITLE: MZ:452.1902 | RT:112.8 | grpid:739 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15582 MS$FOCUSED_ION: PRECURSOR_M/Z 452.190155029297 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15583 AC$CHROMATOGRAPHY: RETENTION_TIME 112.786446 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15584 XCMS groupid (grpid): 739 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15585 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15586 PK$NUM_PEAK: 4 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15587 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15588 173.128677368164 4687.68310546875 10.24 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15589 242.185913085938 4649.87841796875 10.16 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15590 431.172515869141 3883.38818359375 8.48 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15591 452.188873291016 45768.69140625 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15592 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15593 RECORD_TITLE: MZ:452.1902 | RT:113 | grpid:739 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15594 MS$FOCUSED_ION: PRECURSOR_M/Z 452.190155029297 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15595 AC$CHROMATOGRAPHY: RETENTION_TIME 112.983072 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15596 XCMS groupid (grpid): 739 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15597 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15598 PK$NUM_PEAK: 7 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15599 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15600 102.97029876709 3784.47021484375 9.16 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15601 104.049896240234 3122.90185546875 7.56 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15602 116.335182189941 3076.12817382812 7.45 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15603 116.576026916504 2942.82885742188 7.12 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15604 173.128372192383 19179.625 46.43 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15605 183.460662841797 3233.1337890625 7.83 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15606 452.1904296875 41310.8359375 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15607 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15608 RECORD_TITLE: MZ:452.1902 | RT:113 | grpid:739 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15609 MS$FOCUSED_ION: PRECURSOR_M/Z 452.190155029297 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15610 AC$CHROMATOGRAPHY: RETENTION_TIME 112.983072 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15611 XCMS groupid (grpid): 739 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15612 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15613 PK$NUM_PEAK: 7 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15614 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15615 102.97029876709 3784.47021484375 9.16 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15616 104.049896240234 3122.90185546875 7.56 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15617 116.335182189941 3076.12817382812 7.45 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15618 116.576026916504 2942.82885742188 7.12 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15619 173.128372192383 19179.625 46.43 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15620 183.460662841797 3233.1337890625 7.83 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15621 452.1904296875 41310.8359375 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15622 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15623 RECORD_TITLE: MZ:461.2099 | RT:76.5 | grpid:757 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15624 MS$FOCUSED_ION: PRECURSOR_M/Z 461.209899902344 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15625 AC$CHROMATOGRAPHY: RETENTION_TIME 76.520544 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15626 XCMS groupid (grpid): 757 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15627 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15628 PK$NUM_PEAK: 6 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15629 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15630 112.037246704102 77182.6015625 4.57 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15631 150.591278076172 5008.4482421875 0.3 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15632 153.052520751953 54224.6796875 3.21 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15633 194.079025268555 6284.025390625 0.37 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15634 224.089447021484 78458.5234375 4.65 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15635 242.099761962891 1689058.875 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15636 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15637 RECORD_TITLE: MZ:461.2099 | RT:76.5 | grpid:757 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15638 MS$FOCUSED_ION: PRECURSOR_M/Z 461.209899902344 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15639 AC$CHROMATOGRAPHY: RETENTION_TIME 76.520544 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15640 XCMS groupid (grpid): 757 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15641 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15642 PK$NUM_PEAK: 6 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15643 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15644 112.037246704102 77182.6015625 4.57 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15645 150.591278076172 5008.4482421875 0.3 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15646 153.052520751953 54224.6796875 3.21 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15647 194.079025268555 6284.025390625 0.37 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15648 224.089447021484 78458.5234375 4.65 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15649 242.099761962891 1689058.875 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15650 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15651 RECORD_TITLE: MZ:461.2099 | RT:77.5 | grpid:757 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15652 MS$FOCUSED_ION: PRECURSOR_M/Z 461.209899902344 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15653 AC$CHROMATOGRAPHY: RETENTION_TIME 77.474424 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15654 XCMS groupid (grpid): 757 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15655 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15656 PK$NUM_PEAK: 9 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15657 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15658 108.938446044922 3487.57153320312 0.29 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15659 110.10814666748 3973.40063476562 0.33 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15660 112.037155151367 50994.21484375 4.27 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15661 143.304336547852 4037.703125 0.34 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15662 153.052108764648 29027.23828125 2.43 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15663 194.078918457031 4671.78271484375 0.39 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15664 224.089462280273 48872.16015625 4.09 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15665 242.09977722168 1194436.5 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15666 483.839416503906 4609.6552734375 0.39 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15667 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15668 RECORD_TITLE: MZ:461.2099 | RT:77.5 | grpid:757 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15669 MS$FOCUSED_ION: PRECURSOR_M/Z 461.209899902344 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15670 AC$CHROMATOGRAPHY: RETENTION_TIME 77.474424 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15671 XCMS groupid (grpid): 757 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15672 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15673 PK$NUM_PEAK: 9 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15674 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15675 108.938446044922 3487.57153320312 0.29 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15676 110.10814666748 3973.40063476562 0.33 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15677 112.037155151367 50994.21484375 4.27 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15678 143.304336547852 4037.703125 0.34 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15679 153.052108764648 29027.23828125 2.43 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15680 194.078918457031 4671.78271484375 0.39 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15681 224.089462280273 48872.16015625 4.09 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15682 242.09977722168 1194436.5 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15683 483.839416503906 4609.6552734375 0.39 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15684 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15685 RECORD_TITLE: MZ:462.2188 | RT:57.7 | grpid:759 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15686 MS$FOCUSED_ION: PRECURSOR_M/Z 462.218811035156 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15687 AC$CHROMATOGRAPHY: RETENTION_TIME 57.7060356 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15688 XCMS groupid (grpid): 759 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15689 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15690 PK$NUM_PEAK: 33 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15691 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15692 102.055290222168 25408.091796875 7.69 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15693 114.073616027832 4833.80419921875 1.46 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15694 115.087074279785 4629.81689453125 1.4 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15695 116.070701599121 7154.1357421875 2.16 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15696 118.086708068848 16256.9169921875 4.92 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15697 120.065902709961 45274.0078125 13.7 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15698 127.086898803711 6351.52294921875 1.92 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15699 129.102325439453 330451.9375 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15700 130.050109863281 20902.541015625 6.33 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15701 139.086563110352 4282.58251953125 1.3 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15702 141.065887451172 19794.552734375 5.99 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15703 143.081634521484 4180.470703125 1.27 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15704 145.060836791992 12183.693359375 3.69 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15705 155.082183837891 6239.6240234375 1.89 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15706 155.117782592773 16064.8671875 4.86 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15707 157.097106933594 126526.3125 38.29 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15708 159.076431274414 88771.7109375 26.86 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15709 169.824691772461 3394.9814453125 1.03 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15710 173.09196472168 47060.4453125 14.24 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15711 175.107482910156 14841.31640625 4.49 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15712 183.076766967773 6105.44970703125 1.85 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15713 183.113021850586 14382.08203125 4.35 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15714 187.071426391602 43003.76171875 13.01 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15715 187.107849121094 41273.53125 12.49 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15716 191.102890014648 6334.61572265625 1.92 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15717 215.102142333984 27825.716796875 8.42 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15718 252.097564697266 4154.2255859375 1.26 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15719 262.139984130859 4305.97509765625 1.3 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15720 270.107604980469 18771.7109375 5.68 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15721 272.124145507812 107939.2109375 32.66 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15722 274.102722167969 5811.99951171875 1.76 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15723 288.119079589844 46286.41015625 14.01 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15724 359.028900146484 14643.9267578125 4.43 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15725 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15726 RECORD_TITLE: MZ:462.2188 | RT:57.7 | grpid:759 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15727 MS$FOCUSED_ION: PRECURSOR_M/Z 462.218811035156 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15728 AC$CHROMATOGRAPHY: RETENTION_TIME 57.7060356 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15729 XCMS groupid (grpid): 759 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15730 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15731 PK$NUM_PEAK: 33 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15732 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15733 102.055290222168 25408.091796875 7.69 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15734 114.073616027832 4833.80419921875 1.46 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15735 115.087074279785 4629.81689453125 1.4 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15736 116.070701599121 7154.1357421875 2.16 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15737 118.086708068848 16256.9169921875 4.92 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15738 120.065902709961 45274.0078125 13.7 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15739 127.086898803711 6351.52294921875 1.92 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15740 129.102325439453 330451.9375 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15741 130.050109863281 20902.541015625 6.33 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15742 139.086563110352 4282.58251953125 1.3 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15743 141.065887451172 19794.552734375 5.99 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15744 143.081634521484 4180.470703125 1.27 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15745 145.060836791992 12183.693359375 3.69 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15746 155.082183837891 6239.6240234375 1.89 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15747 155.117782592773 16064.8671875 4.86 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15748 157.097106933594 126526.3125 38.29 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15749 159.076431274414 88771.7109375 26.86 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15750 169.824691772461 3394.9814453125 1.03 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15751 173.09196472168 47060.4453125 14.24 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15752 175.107482910156 14841.31640625 4.49 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15753 183.076766967773 6105.44970703125 1.85 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15754 183.113021850586 14382.08203125 4.35 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15755 187.071426391602 43003.76171875 13.01 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15756 187.107849121094 41273.53125 12.49 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15757 191.102890014648 6334.61572265625 1.92 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15758 215.102142333984 27825.716796875 8.42 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15759 252.097564697266 4154.2255859375 1.26 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15760 262.139984130859 4305.97509765625 1.3 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15761 270.107604980469 18771.7109375 5.68 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15762 272.124145507812 107939.2109375 32.66 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15763 274.102722167969 5811.99951171875 1.76 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15764 288.119079589844 46286.41015625 14.01 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15765 359.028900146484 14643.9267578125 4.43 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15766 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15767 RECORD_TITLE: MZ:476.1868 | RT:81.2 | grpid:787 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15768 MS$FOCUSED_ION: PRECURSOR_M/Z 476.186828613281 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15769 AC$CHROMATOGRAPHY: RETENTION_TIME 81.162672 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15770 XCMS groupid (grpid): 787 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15771 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15772 PK$NUM_PEAK: 25 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15773 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15774 102.055404663086 20465.25 11.34 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15775 102.06177520752 3275.78784179688 1.82 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15776 103.278198242188 3364.96044921875 1.86 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15777 112.885681152344 3330.005859375 1.85 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15778 116.070892333984 18159.37890625 10.06 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15779 126.054763793945 43490.20703125 24.1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15780 127.058601379395 15861.7431640625 8.79 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15781 130.049987792969 19434.638671875 10.77 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15782 131.052932739258 3582.9775390625 1.99 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15783 138.054931640625 180482.1875 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15784 139.058502197266 99697.390625 55.24 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15785 144.065490722656 49917.9921875 27.66 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15786 145.068832397461 21013.943359375 11.64 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15787 148.06037902832 60128.3203125 33.32 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15788 149.063781738281 16193.435546875 8.97 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15789 164.992126464844 3413.22827148438 1.89 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15790 168.065734863281 34263.20703125 18.98 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15791 169.069137573242 19527.5078125 10.82 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15792 186.076034545898 28047.16015625 15.54 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15793 187.079391479492 15926.552734375 8.82 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15794 218.489898681641 3360.4560546875 1.86 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15795 276.075775146484 5057.33740234375 2.8 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15796 292.791442871094 3937.0400390625 2.18 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15797 302.142669677734 24162.619140625 13.39 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15798 396.660095214844 3955.03051757812 2.19 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15799 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15800 RECORD_TITLE: MZ:476.1868 | RT:81.2 | grpid:787 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15801 MS$FOCUSED_ION: PRECURSOR_M/Z 476.186828613281 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15802 AC$CHROMATOGRAPHY: RETENTION_TIME 81.162672 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15803 XCMS groupid (grpid): 787 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15804 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15805 PK$NUM_PEAK: 25 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15806 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15807 102.055404663086 20465.25 11.34 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15808 102.06177520752 3275.78784179688 1.82 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15809 103.278198242188 3364.96044921875 1.86 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15810 112.885681152344 3330.005859375 1.85 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15811 116.070892333984 18159.37890625 10.06 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15812 126.054763793945 43490.20703125 24.1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15813 127.058601379395 15861.7431640625 8.79 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15814 130.049987792969 19434.638671875 10.77 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15815 131.052932739258 3582.9775390625 1.99 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15816 138.054931640625 180482.1875 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15817 139.058502197266 99697.390625 55.24 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15818 144.065490722656 49917.9921875 27.66 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15819 145.068832397461 21013.943359375 11.64 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15820 148.06037902832 60128.3203125 33.32 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15821 149.063781738281 16193.435546875 8.97 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15822 164.992126464844 3413.22827148438 1.89 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15823 168.065734863281 34263.20703125 18.98 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15824 169.069137573242 19527.5078125 10.82 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15825 186.076034545898 28047.16015625 15.54 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15826 187.079391479492 15926.552734375 8.82 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15827 218.489898681641 3360.4560546875 1.86 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15828 276.075775146484 5057.33740234375 2.8 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15829 292.791442871094 3937.0400390625 2.18 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15830 302.142669677734 24162.619140625 13.39 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15831 396.660095214844 3955.03051757812 2.19 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15832 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15833 RECORD_TITLE: MZ:476.187 | RT:81.3 | grpid:787 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15834 MS$FOCUSED_ION: PRECURSOR_M/Z 476.186981201172 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15835 AC$CHROMATOGRAPHY: RETENTION_TIME 81.344292 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15836 XCMS groupid (grpid): 787 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15837 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15838 PK$NUM_PEAK: 22 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15839 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15840 102.055328369141 20673.876953125 11.67 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15841 116.070785522461 22201.716796875 12.53 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15842 126.055053710938 32399.587890625 18.28 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15843 127.058502197266 7502.18603515625 4.23 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15844 130.050018310547 7830.02587890625 4.42 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15845 138.055023193359 177192.3125 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15846 139.058303833008 75495.484375 42.61 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15847 144.065582275391 48090.71875 27.14 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15848 145.068878173828 14527.271484375 8.2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15849 148.060287475586 50748.44140625 28.64 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15850 149.064025878906 19258.330078125 10.87 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15851 168.065933227539 29146.37890625 16.45 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15852 169.068939208984 18230.23046875 10.29 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15853 186.076019287109 17442.25 9.84 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15854 187.079437255859 19129.1875 10.8 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15855 199.405822753906 3979.18115234375 2.25 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15856 241.122634887695 3873.60595703125 2.19 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15857 259.666381835938 4058.85961914062 2.29 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15858 267.132629394531 3835.806640625 2.16 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15859 276.075805664062 5290.05908203125 2.99 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15860 301.139099121094 8046.48291015625 4.54 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15861 302.141845703125 19948.310546875 11.26 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15862 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15863 RECORD_TITLE: MZ:476.187 | RT:81.3 | grpid:787 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15864 MS$FOCUSED_ION: PRECURSOR_M/Z 476.186981201172 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15865 AC$CHROMATOGRAPHY: RETENTION_TIME 81.344292 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15866 XCMS groupid (grpid): 787 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15867 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15868 PK$NUM_PEAK: 22 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15869 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15870 102.055328369141 20673.876953125 11.67 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15871 116.070785522461 22201.716796875 12.53 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15872 126.055053710938 32399.587890625 18.28 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15873 127.058502197266 7502.18603515625 4.23 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15874 130.050018310547 7830.02587890625 4.42 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15875 138.055023193359 177192.3125 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15876 139.058303833008 75495.484375 42.61 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15877 144.065582275391 48090.71875 27.14 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15878 145.068878173828 14527.271484375 8.2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15879 148.060287475586 50748.44140625 28.64 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15880 149.064025878906 19258.330078125 10.87 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15881 168.065933227539 29146.37890625 16.45 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15882 169.068939208984 18230.23046875 10.29 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15883 186.076019287109 17442.25 9.84 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15884 187.079437255859 19129.1875 10.8 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15885 199.405822753906 3979.18115234375 2.25 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15886 241.122634887695 3873.60595703125 2.19 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15887 259.666381835938 4058.85961914062 2.29 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15888 267.132629394531 3835.806640625 2.16 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15889 276.075805664062 5290.05908203125 2.99 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15890 301.139099121094 8046.48291015625 4.54 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15891 302.141845703125 19948.310546875 11.26 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15892 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15893 RECORD_TITLE: MZ:476.187 | RT:81.3 | grpid:787 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15894 MS$FOCUSED_ION: PRECURSOR_M/Z 476.187042236328 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15895 AC$CHROMATOGRAPHY: RETENTION_TIME 81.344292 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15896 XCMS groupid (grpid): 787 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15897 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15898 PK$NUM_PEAK: 22 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15899 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15900 102.055328369141 22602.8671875 8.37 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15901 103.568260192871 3338.787109375 1.24 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15902 109.02855682373 5442.65234375 2.02 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15903 116.07088470459 19897.814453125 7.37 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15904 117.074157714844 4382.4052734375 1.62 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15905 126.055374145508 51406.1171875 19.04 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15906 127.058456420898 22398.7109375 8.3 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15907 130.050048828125 22067.697265625 8.17 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15908 138.054916381836 269978.96875 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15909 139.058486938477 126771.1875 46.96 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15910 144.065582275391 61227.703125 22.68 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15911 145.069046020508 33886.6875 12.55 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15912 148.060440063477 91076.7421875 33.73 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15913 149.064071655273 26683.80078125 9.88 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15914 168.065292358398 40215.578125 14.9 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15915 169.069198608398 34653.2890625 12.84 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15916 186.076416015625 39170.015625 14.51 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15917 187.079940795898 24879.5 9.22 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15918 301.139862060547 19206.294921875 7.11 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15919 302.141815185547 33403.7578125 12.37 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15920 360.640808105469 4196.35400390625 1.55 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15921 480.125091552734 3905.12133789062 1.45 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15922 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15923 RECORD_TITLE: MZ:476.187 | RT:81.3 | grpid:787 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15924 MS$FOCUSED_ION: PRECURSOR_M/Z 476.187042236328 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15925 AC$CHROMATOGRAPHY: RETENTION_TIME 81.344292 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15926 XCMS groupid (grpid): 787 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15927 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15928 PK$NUM_PEAK: 22 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15929 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15930 102.055328369141 22602.8671875 8.37 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15931 103.568260192871 3338.787109375 1.24 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15932 109.02855682373 5442.65234375 2.02 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15933 116.07088470459 19897.814453125 7.37 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15934 117.074157714844 4382.4052734375 1.62 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15935 126.055374145508 51406.1171875 19.04 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15936 127.058456420898 22398.7109375 8.3 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15937 130.050048828125 22067.697265625 8.17 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15938 138.054916381836 269978.96875 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15939 139.058486938477 126771.1875 46.96 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15940 144.065582275391 61227.703125 22.68 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15941 145.069046020508 33886.6875 12.55 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15942 148.060440063477 91076.7421875 33.73 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15943 149.064071655273 26683.80078125 9.88 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15944 168.065292358398 40215.578125 14.9 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15945 169.069198608398 34653.2890625 12.84 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15946 186.076416015625 39170.015625 14.51 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15947 187.079940795898 24879.5 9.22 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15948 301.139862060547 19206.294921875 7.11 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15949 302.141815185547 33403.7578125 12.37 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15950 360.640808105469 4196.35400390625 1.55 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15951 480.125091552734 3905.12133789062 1.45 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15952 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15953 RECORD_TITLE: MZ:487.1776 | RT:66.7 | grpid:812 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15954 MS$FOCUSED_ION: PRECURSOR_M/Z 487.177612304688 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15955 AC$CHROMATOGRAPHY: RETENTION_TIME 66.710418 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15956 XCMS groupid (grpid): 812 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15957 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15958 PK$NUM_PEAK: 6 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15959 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15960 103.690208435059 5716.66162109375 0.05 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15961 112.050834655762 10987300 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15962 174.621200561523 5244.80419921875 0.05 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15963 200.266555786133 5990.37744140625 0.05 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15964 244.092468261719 104115.34375 0.95 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15965 448.8837890625 6051.86181640625 0.06 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15966 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15967 RECORD_TITLE: MZ:487.1776 | RT:66.7 | grpid:812 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15968 MS$FOCUSED_ION: PRECURSOR_M/Z 487.177612304688 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15969 AC$CHROMATOGRAPHY: RETENTION_TIME 66.710418 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15970 XCMS groupid (grpid): 812 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15971 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15972 PK$NUM_PEAK: 6 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15973 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15974 103.690208435059 5716.66162109375 0.05 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15975 112.050834655762 10987300 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15976 174.621200561523 5244.80419921875 0.05 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15977 200.266555786133 5990.37744140625 0.05 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15978 244.092468261719 104115.34375 0.95 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15979 448.8837890625 6051.86181640625 0.06 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15980 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15981 RECORD_TITLE: MZ:487.1779 | RT:66.9 | grpid:812 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15982 MS$FOCUSED_ION: PRECURSOR_M/Z 487.177856445312 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15983 AC$CHROMATOGRAPHY: RETENTION_TIME 66.865908 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15984 XCMS groupid (grpid): 812 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15985 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15986 PK$NUM_PEAK: 3 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15987 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15988 112.050857543945 12582074 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15989 244.092895507812 124155.421875 0.99 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15990 294.906677246094 6473.75732421875 0.05 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15991 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15992 RECORD_TITLE: MZ:487.1779 | RT:66.9 | grpid:812 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15993 MS$FOCUSED_ION: PRECURSOR_M/Z 487.177856445312 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15994 AC$CHROMATOGRAPHY: RETENTION_TIME 66.865908 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15995 XCMS groupid (grpid): 812 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15996 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15997 PK$NUM_PEAK: 3 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15998 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15999 112.050857543945 12582074 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16000 244.092895507812 124155.421875 0.99 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16001 294.906677246094 6473.75732421875 0.05 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16002 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16003 RECORD_TITLE: MZ:494.1976 | RT:49.9 | grpid:830 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16004 MS$FOCUSED_ION: PRECURSOR_M/Z 494.197631835938 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16005 AC$CHROMATOGRAPHY: RETENTION_TIME 49.9356528 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16006 XCMS groupid (grpid): 830 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16007 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16008 PK$NUM_PEAK: 31 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16009 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16010 102.055335998535 154721.296875 15 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16011 102.392883300781 3496.21337890625 0.34 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16012 108.04434967041 4591.63720703125 0.45 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16013 109.028770446777 37006.1171875 3.59 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16014 112.050483703613 5202.08544921875 0.5 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16015 114.055534362793 7487.91796875 0.73 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16016 116.070945739746 152841.71875 14.82 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16017 126.055137634277 384054.9375 37.24 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16018 127.038932800293 16765.65234375 1.63 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16019 130.049896240234 134547.890625 13.05 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16020 131.064346313477 4367.2939453125 0.42 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16021 133.538024902344 3557.1923828125 0.34 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16022 134.355972290039 4310.93603515625 0.42 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16023 138.054977416992 1031208.0625 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16024 140.379119873047 4150.32763671875 0.4 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16025 144.054061889648 6955.7412109375 0.67 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16026 144.065582275391 279825.71875 27.14 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16027 148.060394287109 517862.25 50.22 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16028 168.051147460938 6748.05224609375 0.65 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16029 168.065536499023 166781.046875 16.17 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16030 186.076080322266 123645.5625 11.99 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16031 219.097274780273 9423.3818359375 0.91 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16032 230.102645874023 6362.16259765625 0.62 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16033 258.096160888672 9424.5302734375 0.91 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16034 285.323272705078 4496.87939453125 0.44 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16035 291.116821289062 6737.97021484375 0.65 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16036 301.107269287109 5462.4970703125 0.53 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16037 301.138977050781 93043.8828125 9.02 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16038 319.864624023438 4290.947265625 0.42 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16039 329.134429931641 7357.294921875 0.71 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16040 426.685913085938 4104.65283203125 0.4 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16041 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16042 RECORD_TITLE: MZ:494.1976 | RT:49.9 | grpid:830 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16043 MS$FOCUSED_ION: PRECURSOR_M/Z 494.197631835938 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16044 AC$CHROMATOGRAPHY: RETENTION_TIME 49.9356528 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16045 XCMS groupid (grpid): 830 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16046 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16047 PK$NUM_PEAK: 31 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16048 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16049 102.055335998535 154721.296875 15 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16050 102.392883300781 3496.21337890625 0.34 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16051 108.04434967041 4591.63720703125 0.45 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16052 109.028770446777 37006.1171875 3.59 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16053 112.050483703613 5202.08544921875 0.5 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16054 114.055534362793 7487.91796875 0.73 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16055 116.070945739746 152841.71875 14.82 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16056 126.055137634277 384054.9375 37.24 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16057 127.038932800293 16765.65234375 1.63 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16058 130.049896240234 134547.890625 13.05 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16059 131.064346313477 4367.2939453125 0.42 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16060 133.538024902344 3557.1923828125 0.34 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16061 134.355972290039 4310.93603515625 0.42 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16062 138.054977416992 1031208.0625 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16063 140.379119873047 4150.32763671875 0.4 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16064 144.054061889648 6955.7412109375 0.67 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16065 144.065582275391 279825.71875 27.14 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16066 148.060394287109 517862.25 50.22 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16067 168.051147460938 6748.05224609375 0.65 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16068 168.065536499023 166781.046875 16.17 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16069 186.076080322266 123645.5625 11.99 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16070 219.097274780273 9423.3818359375 0.91 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16071 230.102645874023 6362.16259765625 0.62 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16072 258.096160888672 9424.5302734375 0.91 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16073 285.323272705078 4496.87939453125 0.44 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16074 291.116821289062 6737.97021484375 0.65 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16075 301.107269287109 5462.4970703125 0.53 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16076 301.138977050781 93043.8828125 9.02 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16077 319.864624023438 4290.947265625 0.42 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16078 329.134429931641 7357.294921875 0.71 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16079 426.685913085938 4104.65283203125 0.4 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16080 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16081 RECORD_TITLE: MZ:494.1976 | RT:50.1 | grpid:830 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16082 MS$FOCUSED_ION: PRECURSOR_M/Z 494.197631835938 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16083 AC$CHROMATOGRAPHY: RETENTION_TIME 50.0837946 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16084 XCMS groupid (grpid): 830 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16085 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16086 PK$NUM_PEAK: 29 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16087 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16088 101.02392578125 4665.49853515625 0.46 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16089 102.05541229248 139830.640625 13.9 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16090 108.044906616211 7338.142578125 0.73 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16091 109.028587341309 34949.8125 3.47 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16092 110.060516357422 4515.4990234375 0.45 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16093 114.055053710938 8607.400390625 0.86 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16094 116.070930480957 143212.125 14.24 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16095 126.055122375488 382392.125 38.01 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16096 127.039169311523 22511.798828125 2.24 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16097 130.049911499023 114702.28125 11.4 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16098 136.169921875 4170.79638671875 0.41 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16099 138.054992675781 1006045.75 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16100 144.065567016602 271017.65625 26.94 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16101 148.060394287109 530132.8125 52.69 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16102 150.054046630859 3918.6318359375 0.39 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16103 168.065612792969 182116.0625 18.1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16104 186.076141357422 123048.53125 12.23 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16105 197.289779663086 4408.47607421875 0.44 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16106 219.09797668457 7606.20068359375 0.76 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16107 230.102798461914 9371.7431640625 0.93 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16108 239.558517456055 4159.935546875 0.41 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16109 258.096801757812 15609.2587890625 1.55 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16110 291.118927001953 8675.626953125 0.86 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16111 301.139556884766 84987.3046875 8.45 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16112 302.220367431641 3734.84155273438 0.37 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16113 329.133361816406 18578.4765625 1.85 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16114 332.25048828125 4750.3056640625 0.47 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16115 342.581665039062 3982.03881835938 0.4 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16116 376.824645996094 3809.353515625 0.38 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16117 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16118 RECORD_TITLE: MZ:494.1976 | RT:50.1 | grpid:830 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16119 MS$FOCUSED_ION: PRECURSOR_M/Z 494.197631835938 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16120 AC$CHROMATOGRAPHY: RETENTION_TIME 50.0837946 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16121 XCMS groupid (grpid): 830 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16122 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16123 PK$NUM_PEAK: 29 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16124 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16125 101.02392578125 4665.49853515625 0.46 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16126 102.05541229248 139830.640625 13.9 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16127 108.044906616211 7338.142578125 0.73 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16128 109.028587341309 34949.8125 3.47 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16129 110.060516357422 4515.4990234375 0.45 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16130 114.055053710938 8607.400390625 0.86 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16131 116.070930480957 143212.125 14.24 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16132 126.055122375488 382392.125 38.01 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16133 127.039169311523 22511.798828125 2.24 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16134 130.049911499023 114702.28125 11.4 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16135 136.169921875 4170.79638671875 0.41 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16136 138.054992675781 1006045.75 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16137 144.065567016602 271017.65625 26.94 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16138 148.060394287109 530132.8125 52.69 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16139 150.054046630859 3918.6318359375 0.39 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16140 168.065612792969 182116.0625 18.1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16141 186.076141357422 123048.53125 12.23 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16142 197.289779663086 4408.47607421875 0.44 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16143 219.09797668457 7606.20068359375 0.76 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16144 230.102798461914 9371.7431640625 0.93 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16145 239.558517456055 4159.935546875 0.41 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16146 258.096801757812 15609.2587890625 1.55 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16147 291.118927001953 8675.626953125 0.86 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16148 301.139556884766 84987.3046875 8.45 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16149 302.220367431641 3734.84155273438 0.37 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16150 329.133361816406 18578.4765625 1.85 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16151 332.25048828125 4750.3056640625 0.47 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16152 342.581665039062 3982.03881835938 0.4 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16153 376.824645996094 3809.353515625 0.38 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16154 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16155 RECORD_TITLE: MZ:498.1687 | RT:81.2 | grpid:840 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16156 MS$FOCUSED_ION: PRECURSOR_M/Z 498.168731689453 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16157 AC$CHROMATOGRAPHY: RETENTION_TIME 81.162672 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16158 XCMS groupid (grpid): 840 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16159 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16160 PK$NUM_PEAK: 27 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16161 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16162 110.071174621582 19027.2734375 1.64 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16163 113.020904541016 9368.123046875 0.81 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16164 126.054611206055 5812.5556640625 0.5 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16165 127.031745910645 4190.18701171875 0.36 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16166 136.075302124023 22934.310546875 1.98 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16167 137.078796386719 9176.759765625 0.79 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16168 138.054428100586 23509.2890625 2.03 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16169 148.036193847656 6227.35693359375 0.54 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16170 170.04133605957 5330.70458984375 0.46 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16171 186.075622558594 4476.88330078125 0.39 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16172 208.057647705078 61292.54296875 5.3 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16173 210.997604370117 4414.2978515625 0.38 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16174 214.955703735352 4026.87036132812 0.35 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16175 226.068435668945 138242.484375 11.95 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16176 236.147445678711 7551.0751953125 0.65 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16177 241.538787841797 4289.0048828125 0.37 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16178 279.094696044922 23287.87890625 2.01 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16179 297.103424072266 4021.5634765625 0.35 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16180 298.089477539062 604584.8125 52.24 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16181 313.098754882812 4193.3427734375 0.36 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16182 323.121063232422 447545.03125 38.67 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16183 351.115936279297 177400.859375 15.33 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16184 368.141418457031 7687.5947265625 0.66 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16185 369.126556396484 840579.1875 72.63 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16186 452.164520263672 46214.9140625 3.99 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16187 480.158355712891 21752.802734375 1.88 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16188 498.169158935547 1157278.375 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16189 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16190 RECORD_TITLE: MZ:498.1687 | RT:81.2 | grpid:840 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16191 MS$FOCUSED_ION: PRECURSOR_M/Z 498.168731689453 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16192 AC$CHROMATOGRAPHY: RETENTION_TIME 81.162672 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16193 XCMS groupid (grpid): 840 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16194 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16195 PK$NUM_PEAK: 27 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16196 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16197 110.071174621582 19027.2734375 1.64 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16198 113.020904541016 9368.123046875 0.81 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16199 126.054611206055 5812.5556640625 0.5 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16200 127.031745910645 4190.18701171875 0.36 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16201 136.075302124023 22934.310546875 1.98 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16202 137.078796386719 9176.759765625 0.79 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16203 138.054428100586 23509.2890625 2.03 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16204 148.036193847656 6227.35693359375 0.54 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16205 170.04133605957 5330.70458984375 0.46 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16206 186.075622558594 4476.88330078125 0.39 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16207 208.057647705078 61292.54296875 5.3 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16208 210.997604370117 4414.2978515625 0.38 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16209 214.955703735352 4026.87036132812 0.35 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16210 226.068435668945 138242.484375 11.95 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16211 236.147445678711 7551.0751953125 0.65 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16212 241.538787841797 4289.0048828125 0.37 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16213 279.094696044922 23287.87890625 2.01 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16214 297.103424072266 4021.5634765625 0.35 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16215 298.089477539062 604584.8125 52.24 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16216 313.098754882812 4193.3427734375 0.36 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16217 323.121063232422 447545.03125 38.67 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16218 351.115936279297 177400.859375 15.33 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16219 368.141418457031 7687.5947265625 0.66 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16220 369.126556396484 840579.1875 72.63 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16221 452.164520263672 46214.9140625 3.99 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16222 480.158355712891 21752.802734375 1.88 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16223 498.169158935547 1157278.375 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16224 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16225 RECORD_TITLE: MZ:498.1689 | RT:81.3 | grpid:840 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16226 MS$FOCUSED_ION: PRECURSOR_M/Z 498.168914794922 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16227 AC$CHROMATOGRAPHY: RETENTION_TIME 81.344292 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16228 XCMS groupid (grpid): 840 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16229 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16230 PK$NUM_PEAK: 21 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16231 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16232 106.049766540527 6611.89404296875 0.52 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16233 110.071022033691 19734.185546875 1.56 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16234 113.020729064941 9306.251953125 0.74 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16235 136.075790405273 30731.45703125 2.43 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16236 138.054565429688 21605.92578125 1.71 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16237 167.347625732422 4180.2548828125 0.33 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16238 180.837631225586 3948.50952148438 0.31 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16239 184.057907104492 8015.86474609375 0.63 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16240 208.058547973633 55579.5703125 4.39 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16241 226.046966552734 7511.52294921875 0.59 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16242 226.068435668945 155661.140625 12.3 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16243 236.14729309082 4748.50634765625 0.38 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16244 279.094757080078 26303.89453125 2.08 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16245 298.089416503906 625621.25 49.43 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16246 323.121215820312 485592.5 38.36 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16247 351.116119384766 216191.140625 17.08 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16248 368.143646240234 8117.44580078125 0.64 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16249 369.126617431641 931572.6875 73.6 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16250 452.164489746094 61435.125 4.85 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16251 480.157287597656 16194.7509765625 1.28 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16252 498.169281005859 1265792.25 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16253 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16254 RECORD_TITLE: MZ:498.1689 | RT:81.3 | grpid:840 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16255 MS$FOCUSED_ION: PRECURSOR_M/Z 498.168914794922 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16256 AC$CHROMATOGRAPHY: RETENTION_TIME 81.344292 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16257 XCMS groupid (grpid): 840 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16258 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16259 PK$NUM_PEAK: 21 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16260 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16261 106.049766540527 6611.89404296875 0.52 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16262 110.071022033691 19734.185546875 1.56 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16263 113.020729064941 9306.251953125 0.74 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16264 136.075790405273 30731.45703125 2.43 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16265 138.054565429688 21605.92578125 1.71 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16266 167.347625732422 4180.2548828125 0.33 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16267 180.837631225586 3948.50952148438 0.31 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16268 184.057907104492 8015.86474609375 0.63 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16269 208.058547973633 55579.5703125 4.39 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16270 226.046966552734 7511.52294921875 0.59 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16271 226.068435668945 155661.140625 12.3 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16272 236.14729309082 4748.50634765625 0.38 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16273 279.094757080078 26303.89453125 2.08 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16274 298.089416503906 625621.25 49.43 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16275 323.121215820312 485592.5 38.36 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16276 351.116119384766 216191.140625 17.08 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16277 368.143646240234 8117.44580078125 0.64 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16278 369.126617431641 931572.6875 73.6 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16279 452.164489746094 61435.125 4.85 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16280 480.157287597656 16194.7509765625 1.28 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16281 498.169281005859 1265792.25 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16282 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16283 RECORD_TITLE: MZ:498.1697 | RT:81.3 | grpid:840 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16284 MS$FOCUSED_ION: PRECURSOR_M/Z 498.169708251953 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16285 AC$CHROMATOGRAPHY: RETENTION_TIME 81.344292 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16286 XCMS groupid (grpid): 840 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16287 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16288 PK$NUM_PEAK: 13 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16289 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16290 101.778099060059 3795.03295898438 25.33 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16291 109.610725402832 3484.1552734375 23.26 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16292 159.81298828125 3442.19995117188 22.98 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16293 188.469665527344 3955.94091796875 26.41 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16294 195.686859130859 3936.31909179688 26.27 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16295 200.988327026367 3759.4541015625 25.09 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16296 244.78190612793 4454.5654296875 29.73 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16297 276.721008300781 3612.77392578125 24.12 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16298 296.157531738281 4649.9521484375 31.04 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16299 308.5830078125 4018.92358398438 26.83 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16300 311.841857910156 3540.38208007812 23.63 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16301 369.124267578125 5257.81591796875 35.1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16302 498.169372558594 14981.3701171875 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16303 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16304 RECORD_TITLE: MZ:498.1697 | RT:81.3 | grpid:840 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16305 MS$FOCUSED_ION: PRECURSOR_M/Z 498.169708251953 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16306 AC$CHROMATOGRAPHY: RETENTION_TIME 81.344292 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16307 XCMS groupid (grpid): 840 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16308 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16309 PK$NUM_PEAK: 13 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16310 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16311 101.778099060059 3795.03295898438 25.33 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16312 109.610725402832 3484.1552734375 23.26 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16313 159.81298828125 3442.19995117188 22.98 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16314 188.469665527344 3955.94091796875 26.41 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16315 195.686859130859 3936.31909179688 26.27 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16316 200.988327026367 3759.4541015625 25.09 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16317 244.78190612793 4454.5654296875 29.73 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16318 276.721008300781 3612.77392578125 24.12 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16319 296.157531738281 4649.9521484375 31.04 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16320 308.5830078125 4018.92358398438 26.83 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16321 311.841857910156 3540.38208007812 23.63 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16322 369.124267578125 5257.81591796875 35.1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16323 498.169372558594 14981.3701171875 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16324 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16325 RECORD_TITLE: MZ:499.2504 | RT:129.3 | grpid:843 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16326 MS$FOCUSED_ION: PRECURSOR_M/Z 499.250396728516 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16327 AC$CHROMATOGRAPHY: RETENTION_TIME 129.271086 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16328 XCMS groupid (grpid): 843 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16329 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16330 PK$NUM_PEAK: 8 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16331 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16332 118.086380004883 7052.74462890625 0.36 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16333 119.035583496094 4770.26611328125 0.24 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16334 137.045806884766 1959734 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16335 143.80290222168 3752.88916015625 0.19 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16336 185.164245605469 6015.66552734375 0.31 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16337 188.177719116211 3627.47534179688 0.19 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16338 231.17024230957 75057.1484375 3.83 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16339 473.909973144531 4030.2705078125 0.21 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16340 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16341 RECORD_TITLE: MZ:499.2504 | RT:129.3 | grpid:843 | file:1 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16342 MS$FOCUSED_ION: PRECURSOR_M/Z 499.250396728516 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16343 AC$CHROMATOGRAPHY: RETENTION_TIME 129.271086 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16344 XCMS groupid (grpid): 843 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16345 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16346 PK$NUM_PEAK: 8 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16347 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16348 118.086380004883 7052.74462890625 0.36 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16349 119.035583496094 4770.26611328125 0.24 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16350 137.045806884766 1959734 100 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16351 143.80290222168 3752.88916015625 0.19 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16352 185.164245605469 6015.66552734375 0.31 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16353 188.177719116211 3627.47534179688 0.19 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16354 231.17024230957 75057.1484375 3.83 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16355 473.909973144531 4030.2705078125 0.21 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16356 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16357 RECORD_TITLE: MZ:499.2504 | RT:129.5 | grpid:843 | file:2 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16358 MS$FOCUSED_ION: PRECURSOR_M/Z 499.250396728516 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16359 AC$CHROMATOGRAPHY: RETENTION_TIME 129.525558 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16360 XCMS groupid (grpid): 843 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16361 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16362 PK$NUM_PEAK: 4 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16363 PK$PEAK: m/z int. rel.int. |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16364 110.034912109375 5403.05908203125 0.28 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16365 118.08659362793 4443.796875 0.23 |
|
f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
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16366 137.045791625977 1921419.375 100 |
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f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
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16367 231.170379638672 79803.1953125 4.15 |
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f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
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16368 |
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f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
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16369 RECORD_TITLE: MZ:499.2504 | RT:129.5 | grpid:843 | file:2 |
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f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
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16370 MS$FOCUSED_ION: PRECURSOR_M/Z 499.250396728516 |
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f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
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16371 AC$CHROMATOGRAPHY: RETENTION_TIME 129.525558 |
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f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
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16372 XCMS groupid (grpid): 843 |
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f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
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16373 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0 |
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f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
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16374 PK$NUM_PEAK: 4 |
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f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
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16375 PK$PEAK: m/z int. rel.int. |
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f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
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16376 110.034912109375 5403.05908203125 0.28 |
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f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
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16377 118.08659362793 4443.796875 0.23 |
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f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
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16378 137.045791625977 1921419.375 100 |
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f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
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16379 231.170379638672 79803.1953125 4.15 |
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f075f67c7416
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
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16380 |