Mercurial > repos > tomnl > mspurity_dimspredictpuritysingle
annotate test-data/createMSP_output_av_intra.msp @ 0:fc9bb7e49a3a draft
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
| author | tomnl |
|---|---|
| date | Fri, 24 May 2019 09:02:25 -0400 |
| parents | |
| children | 92dbd3a31caf |
| rev | line source |
|---|---|
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0
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1 RECORD_TITLE: MZ:112.0508 | RT:67.5 | grpid:12 | file:1 |
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fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2 MS$FOCUSED_ION: PRECURSOR_M/Z 112.050766766484 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
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3 AC$CHROMATOGRAPHY: RETENTION_TIME 67.47903 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4 XCMS groupid (grpid): 12 |
|
fc9bb7e49a3a
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 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6 PK$NUM_PEAK: 1 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
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 |
|
fc9bb7e49a3a
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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fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
10 RECORD_TITLE: MZ:112.0508 | RT:67.5 | grpid:12 | file:1 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11 MS$FOCUSED_ION: PRECURSOR_M/Z 112.050766766484 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
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12 AC$CHROMATOGRAPHY: RETENTION_TIME 67.47903 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13 XCMS groupid (grpid): 12 |
|
fc9bb7e49a3a
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 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15 PK$NUM_PEAK: 1 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
17 112.050888061523 440629.6875 100 |
|
fc9bb7e49a3a
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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fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
19 RECORD_TITLE: MZ:112.0508 | RT:67.5 | grpid:12 | file:2 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
20 MS$FOCUSED_ION: PRECURSOR_M/Z 112.050766766484 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
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21 AC$CHROMATOGRAPHY: RETENTION_TIME 67.47903 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
22 XCMS groupid (grpid): 12 |
|
fc9bb7e49a3a
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 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
24 PK$NUM_PEAK: 2 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
25 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
26 112.050880432129 565117.25 100 |
|
fc9bb7e49a3a
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 |
|
fc9bb7e49a3a
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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fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
29 RECORD_TITLE: MZ:112.0508 | RT:67.5 | grpid:12 | file:2 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
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30 MS$FOCUSED_ION: PRECURSOR_M/Z 112.050766766484 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
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31 AC$CHROMATOGRAPHY: RETENTION_TIME 67.47903 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
32 XCMS groupid (grpid): 12 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
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33 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
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34 PK$NUM_PEAK: 2 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
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35 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
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36 112.050880432129 565117.25 100 |
|
fc9bb7e49a3a
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 |
|
fc9bb7e49a3a
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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fc9bb7e49a3a
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:113.0354 | RT:83.4 | grpid:14 | file:1 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
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40 MS$FOCUSED_ION: PRECURSOR_M/Z 113.03541992282 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
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41 AC$CHROMATOGRAPHY: RETENTION_TIME 83.441172 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
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42 XCMS groupid (grpid): 14 |
|
fc9bb7e49a3a
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 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
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44 PK$NUM_PEAK: 1 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
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45 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
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 |
|
fc9bb7e49a3a
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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fc9bb7e49a3a
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:113.0354 | RT:83.4 | grpid:14 | file:1 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
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49 MS$FOCUSED_ION: PRECURSOR_M/Z 113.03541992282 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
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50 AC$CHROMATOGRAPHY: RETENTION_TIME 83.441172 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
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51 XCMS groupid (grpid): 14 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
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52 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
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53 PK$NUM_PEAK: 1 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
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54 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
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 |
|
fc9bb7e49a3a
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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fc9bb7e49a3a
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:113.0354 | RT:83.4 | grpid:14 | file:2 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
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58 MS$FOCUSED_ION: PRECURSOR_M/Z 113.03541992282 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
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59 AC$CHROMATOGRAPHY: RETENTION_TIME 83.441172 |
|
fc9bb7e49a3a
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 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
61 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
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62 PK$NUM_PEAK: 2 |
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fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
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63 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
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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fc9bb7e49a3a
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 |
|
fc9bb7e49a3a
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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fc9bb7e49a3a
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:113.0354 | RT:83.4 | grpid:14 | file:2 |
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fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
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68 MS$FOCUSED_ION: PRECURSOR_M/Z 113.03541992282 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
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69 AC$CHROMATOGRAPHY: RETENTION_TIME 83.441172 |
|
fc9bb7e49a3a
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 |
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fc9bb7e49a3a
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 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
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72 PK$NUM_PEAK: 2 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
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73 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
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 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
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75 113.034805297852 7964904.5 100 |
|
fc9bb7e49a3a
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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fc9bb7e49a3a
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:116.0706 | RT:47.7 | grpid:17 | file:1 |
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fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
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78 MS$FOCUSED_ION: PRECURSOR_M/Z 116.070637437099 |
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79 AC$CHROMATOGRAPHY: RETENTION_TIME 47.662548 |
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80 XCMS groupid (grpid): 17 |
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81 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
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82 PK$NUM_PEAK: 3 |
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83 PK$PEAK: m/z int. rel.int. |
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84 116.016784667969 5682.14404296875 3.8 |
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85 116.070899963379 149471.265625 100 |
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86 116.10725402832 6152.61499023438 4.12 |
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87 |
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88 RECORD_TITLE: MZ:116.0706 | RT:47.7 | grpid:17 | file:1 |
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89 MS$FOCUSED_ION: PRECURSOR_M/Z 116.070637437099 |
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90 AC$CHROMATOGRAPHY: RETENTION_TIME 47.662548 |
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91 XCMS groupid (grpid): 17 |
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92 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
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93 PK$NUM_PEAK: 3 |
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94 PK$PEAK: m/z int. rel.int. |
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95 116.016784667969 5682.14404296875 3.8 |
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96 116.070899963379 149471.265625 100 |
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97 116.10725402832 6152.61499023438 4.12 |
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98 |
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99 RECORD_TITLE: MZ:116.0706 | RT:47.7 | grpid:17 | file:2 |
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100 MS$FOCUSED_ION: PRECURSOR_M/Z 116.070637437099 |
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101 AC$CHROMATOGRAPHY: RETENTION_TIME 47.662548 |
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102 XCMS groupid (grpid): 17 |
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103 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
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104 PK$NUM_PEAK: 3 |
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105 PK$PEAK: m/z int. rel.int. |
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106 116.016510009766 3662.43212890625 2.21 |
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107 116.070892333984 165623.640625 100 |
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108 116.107261657715 6898.55065917969 4.17 |
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109 |
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110 RECORD_TITLE: MZ:116.0706 | RT:47.7 | grpid:17 | file:2 |
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111 MS$FOCUSED_ION: PRECURSOR_M/Z 116.070637437099 |
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112 AC$CHROMATOGRAPHY: RETENTION_TIME 47.662548 |
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113 XCMS groupid (grpid): 17 |
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114 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
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115 PK$NUM_PEAK: 3 |
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116 PK$PEAK: m/z int. rel.int. |
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117 116.016510009766 3662.43212890625 2.21 |
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118 116.070892333984 165623.640625 100 |
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119 116.107261657715 6898.55065917969 4.17 |
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120 |
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121 RECORD_TITLE: MZ:132.1018 | RT:73.5 | grpid:41 | file:1 |
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122 MS$FOCUSED_ION: PRECURSOR_M/Z 132.101827805179 |
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123 AC$CHROMATOGRAPHY: RETENTION_TIME 73.529172 |
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124 XCMS groupid (grpid): 41 |
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125 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
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126 PK$NUM_PEAK: 1 |
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127 PK$PEAK: m/z int. rel.int. |
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128 132.102035522461 273406.25 100 |
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129 |
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130 RECORD_TITLE: MZ:132.1018 | RT:73.5 | grpid:41 | file:1 |
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131 MS$FOCUSED_ION: PRECURSOR_M/Z 132.101827805179 |
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132 AC$CHROMATOGRAPHY: RETENTION_TIME 73.529172 |
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133 XCMS groupid (grpid): 41 |
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134 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
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135 PK$NUM_PEAK: 1 |
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136 PK$PEAK: m/z int. rel.int. |
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137 132.102035522461 273406.25 100 |
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138 |
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139 RECORD_TITLE: MZ:132.1018 | RT:73.5 | grpid:41 | file:2 |
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140 MS$FOCUSED_ION: PRECURSOR_M/Z 132.101827805179 |
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141 AC$CHROMATOGRAPHY: RETENTION_TIME 73.529172 |
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142 XCMS groupid (grpid): 41 |
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143 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
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144 PK$NUM_PEAK: 1 |
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145 PK$PEAK: m/z int. rel.int. |
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146 132.102035522461 402822.6875 100 |
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147 |
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148 RECORD_TITLE: MZ:132.1018 | RT:73.5 | grpid:41 | file:2 |
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149 MS$FOCUSED_ION: PRECURSOR_M/Z 132.101827805179 |
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150 AC$CHROMATOGRAPHY: RETENTION_TIME 73.529172 |
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151 XCMS groupid (grpid): 41 |
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152 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
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153 PK$NUM_PEAK: 1 |
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154 PK$PEAK: m/z int. rel.int. |
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155 132.102035522461 402822.6875 100 |
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156 |
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157 RECORD_TITLE: MZ:137.0456 | RT:127 | grpid:47 | file:1 |
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158 MS$FOCUSED_ION: PRECURSOR_M/Z 137.045578757527 |
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159 AC$CHROMATOGRAPHY: RETENTION_TIME 126.956946 |
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160 XCMS groupid (grpid): 47 |
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161 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
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162 PK$NUM_PEAK: 12 |
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163 PK$PEAK: m/z int. rel.int. |
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164 104.860054016113 30638.400390625 0.18 |
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165 110.028198242188 67928.296875 0.4 |
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166 110.035266876221 733295.444335938 4.35 |
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167 110.559509277344 33952.66015625 0.2 |
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168 112.050758361816 37811.4998779297 0.22 |
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169 119.035530090332 552159.596679688 3.28 |
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170 127.993309020996 1960.09631347656 0.01 |
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171 128.045852661133 75962.28125 0.45 |
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172 136.124038696289 2269.25805664062 0.01 |
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173 137.045845031738 16858602.5 100 |
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174 138.030548095703 43127.65234375 0.26 |
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175 154.112442016602 2006.76232910156 0.01 |
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176 |
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177 RECORD_TITLE: MZ:137.0456 | RT:127 | grpid:47 | file:1 |
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178 MS$FOCUSED_ION: PRECURSOR_M/Z 137.045578757527 |
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179 AC$CHROMATOGRAPHY: RETENTION_TIME 126.956946 |
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180 XCMS groupid (grpid): 47 |
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181 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
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182 PK$NUM_PEAK: 12 |
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183 PK$PEAK: m/z int. rel.int. |
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184 104.860054016113 30638.400390625 0.18 |
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185 110.028198242188 67928.296875 0.4 |
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186 110.035266876221 733295.444335938 4.35 |
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187 110.559509277344 33952.66015625 0.2 |
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188 112.050758361816 37811.4998779297 0.22 |
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189 119.035530090332 552159.596679688 3.28 |
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190 127.993309020996 1960.09631347656 0.01 |
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191 128.045852661133 75962.28125 0.45 |
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192 136.124038696289 2269.25805664062 0.01 |
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193 137.045845031738 16858602.5 100 |
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194 138.030548095703 43127.65234375 0.26 |
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195 154.112442016602 2006.76232910156 0.01 |
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196 |
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197 RECORD_TITLE: MZ:137.0456 | RT:127 | grpid:47 | file:2 |
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198 MS$FOCUSED_ION: PRECURSOR_M/Z 137.045578757527 |
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199 AC$CHROMATOGRAPHY: RETENTION_TIME 126.956946 |
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200 XCMS groupid (grpid): 47 |
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201 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
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202 PK$NUM_PEAK: 9 |
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203 PK$PEAK: m/z int. rel.int. |
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204 109.06566619873 2550.77392578125 0.04 |
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205 110.035278320312 290341.673828125 4.45 |
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206 112.050743103027 12029.1610107422 0.18 |
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207 119.020355224609 16488.48828125 0.25 |
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208 119.035415649414 200743.407226562 3.08 |
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209 128.04508972168 18434.0234375 0.28 |
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210 137.04581451416 6519742.5 100 |
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211 138.029312133789 2125.6455078125 0.03 |
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212 159.283874511719 2343.61376953125 0.04 |
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213 |
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214 RECORD_TITLE: MZ:137.0456 | RT:127 | grpid:47 | file:2 |
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215 MS$FOCUSED_ION: PRECURSOR_M/Z 137.045578757527 |
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216 AC$CHROMATOGRAPHY: RETENTION_TIME 126.956946 |
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217 XCMS groupid (grpid): 47 |
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218 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
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219 PK$NUM_PEAK: 9 |
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220 PK$PEAK: m/z int. rel.int. |
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221 109.06566619873 2550.77392578125 0.04 |
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222 110.035278320312 290341.673828125 4.45 |
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223 112.050743103027 12029.1610107422 0.18 |
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224 119.020355224609 16488.48828125 0.25 |
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225 119.035415649414 200743.407226562 3.08 |
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226 128.04508972168 18434.0234375 0.28 |
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227 137.04581451416 6519742.5 100 |
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228 138.029312133789 2125.6455078125 0.03 |
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229 159.283874511719 2343.61376953125 0.04 |
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230 |
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231 RECORD_TITLE: MZ:138.0547 | RT:50.7 | grpid:48 | file:1 |
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232 MS$FOCUSED_ION: PRECURSOR_M/Z 138.05471057982 |
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233 AC$CHROMATOGRAPHY: RETENTION_TIME 50.6971758 |
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234 XCMS groupid (grpid): 48 |
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235 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
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236 PK$NUM_PEAK: 3 |
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237 PK$PEAK: m/z int. rel.int. |
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238 110.060348510742 36283.7578125 6.69 |
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239 110.072189331055 8668.18530273438 1.6 |
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240 138.054916381836 542459.3125 100 |
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241 |
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242 RECORD_TITLE: MZ:138.0547 | RT:50.7 | grpid:48 | file:1 |
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243 MS$FOCUSED_ION: PRECURSOR_M/Z 138.05471057982 |
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244 AC$CHROMATOGRAPHY: RETENTION_TIME 50.6971758 |
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245 XCMS groupid (grpid): 48 |
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246 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
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247 PK$NUM_PEAK: 3 |
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248 PK$PEAK: m/z int. rel.int. |
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249 110.060348510742 36283.7578125 6.69 |
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250 110.072189331055 8668.18530273438 1.6 |
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251 138.054916381836 542459.3125 100 |
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252 |
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253 RECORD_TITLE: MZ:138.0547 | RT:50.7 | grpid:48 | file:2 |
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254 MS$FOCUSED_ION: PRECURSOR_M/Z 138.05471057982 |
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255 AC$CHROMATOGRAPHY: RETENTION_TIME 50.6971758 |
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256 XCMS groupid (grpid): 48 |
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257 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' 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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260 110.060356140137 32966.80859375 8.97 |
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261 138.054885864258 367633.15625 100 |
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262 |
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263 RECORD_TITLE: MZ:138.0547 | RT:50.7 | grpid:48 | file:2 |
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264 MS$FOCUSED_ION: PRECURSOR_M/Z 138.05471057982 |
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265 AC$CHROMATOGRAPHY: RETENTION_TIME 50.6971758 |
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266 XCMS groupid (grpid): 48 |
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267 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' 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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270 110.060356140137 32966.80859375 8.97 |
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271 138.054885864258 367633.15625 100 |
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272 |
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273 RECORD_TITLE: MZ:138.0487 | RT:127 | grpid:49 | file:1 |
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274 MS$FOCUSED_ION: PRECURSOR_M/Z 138.048727400006 |
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275 AC$CHROMATOGRAPHY: RETENTION_TIME 126.956946 |
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276 XCMS groupid (grpid): 49 |
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277 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
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278 PK$NUM_PEAK: 7 |
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279 PK$PEAK: m/z int. rel.int. |
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280 110.035133361816 4197.11962890625 1.03 |
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281 111.032066345215 2933.20043945312 0.72 |
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282 111.03865814209 19436.671875 4.75 |
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283 120.031585693359 3442.69409179688 0.84 |
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284 120.038940429688 10890.13671875 2.66 |
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285 131.267166137695 2650.74243164062 0.65 |
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286 138.049896240234 408864.25 100 |
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287 |
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288 RECORD_TITLE: MZ:138.0487 | RT:127 | grpid:49 | file:1 |
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289 MS$FOCUSED_ION: PRECURSOR_M/Z 138.048727400006 |
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290 AC$CHROMATOGRAPHY: RETENTION_TIME 126.956946 |
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291 XCMS groupid (grpid): 49 |
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292 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
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293 PK$NUM_PEAK: 7 |
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294 PK$PEAK: m/z int. rel.int. |
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295 110.035133361816 4197.11962890625 1.03 |
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296 111.032066345215 2933.20043945312 0.72 |
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297 111.03865814209 19436.671875 4.75 |
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298 120.031585693359 3442.69409179688 0.84 |
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299 120.038940429688 10890.13671875 2.66 |
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300 131.267166137695 2650.74243164062 0.65 |
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301 138.049896240234 408864.25 100 |
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302 |
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303 RECORD_TITLE: MZ:138.0487 | RT:127 | grpid:49 | file:2 |
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304 MS$FOCUSED_ION: PRECURSOR_M/Z 138.048727400006 |
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305 AC$CHROMATOGRAPHY: RETENTION_TIME 126.956946 |
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306 XCMS groupid (grpid): 49 |
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307 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
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308 PK$NUM_PEAK: 5 |
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309 PK$PEAK: m/z int. rel.int. |
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310 111.032066345215 4279.24560546875 0.77 |
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311 111.038848876953 24677.09765625 4.42 |
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312 120.038902282715 18950.03125 3.39 |
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313 137.396865844727 3584.59228515625 0.64 |
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314 138.05012512207 558628.8125 100 |
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315 |
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316 RECORD_TITLE: MZ:138.0487 | RT:127 | grpid:49 | file:2 |
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317 MS$FOCUSED_ION: PRECURSOR_M/Z 138.048727400006 |
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318 AC$CHROMATOGRAPHY: RETENTION_TIME 126.956946 |
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319 XCMS groupid (grpid): 49 |
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320 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
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321 PK$NUM_PEAK: 5 |
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322 PK$PEAK: m/z int. rel.int. |
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323 111.032066345215 4279.24560546875 0.77 |
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324 111.038848876953 24677.09765625 4.42 |
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325 120.038902282715 18950.03125 3.39 |
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326 137.396865844727 3584.59228515625 0.64 |
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327 138.05012512207 558628.8125 100 |
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328 |
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329 RECORD_TITLE: MZ:140.0678 | RT:46.2 | grpid:51 | file:1 |
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330 MS$FOCUSED_ION: PRECURSOR_M/Z 140.067802644286 |
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331 AC$CHROMATOGRAPHY: RETENTION_TIME 46.161033 |
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332 XCMS groupid (grpid): 51 |
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333 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
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334 PK$NUM_PEAK: 4 |
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335 PK$PEAK: m/z int. rel.int. |
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336 108.959754943848 2408.8056640625 0.09 |
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337 114.089195251465 280537.40625 10.59 |
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338 140.068115234375 2649786.75 100 |
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339 143.032638549805 2735.88037109375 0.1 |
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340 |
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341 RECORD_TITLE: MZ:140.0678 | RT:46.2 | grpid:51 | file:1 |
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342 MS$FOCUSED_ION: PRECURSOR_M/Z 140.067802644286 |
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343 AC$CHROMATOGRAPHY: RETENTION_TIME 46.161033 |
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344 XCMS groupid (grpid): 51 |
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345 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
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346 PK$NUM_PEAK: 4 |
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347 PK$PEAK: m/z int. rel.int. |
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348 108.959754943848 2408.8056640625 0.09 |
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349 114.089195251465 280537.40625 10.59 |
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350 140.068115234375 2649786.75 100 |
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351 143.032638549805 2735.88037109375 0.1 |
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352 |
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353 RECORD_TITLE: MZ:140.0678 | RT:46.2 | grpid:51 | file:2 |
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354 MS$FOCUSED_ION: PRECURSOR_M/Z 140.067802644286 |
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355 AC$CHROMATOGRAPHY: RETENTION_TIME 46.161033 |
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356 XCMS groupid (grpid): 51 |
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357 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
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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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360 114.089164733887 856653.625 10.81 |
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361 140.068130493164 7923872 100 |
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362 |
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363 RECORD_TITLE: MZ:140.0678 | RT:46.2 | grpid:51 | file:2 |
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364 MS$FOCUSED_ION: PRECURSOR_M/Z 140.067802644286 |
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365 AC$CHROMATOGRAPHY: RETENTION_TIME 46.161033 |
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366 XCMS groupid (grpid): 51 |
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367 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
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368 PK$NUM_PEAK: 2 |
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369 PK$PEAK: m/z int. rel.int. |
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370 114.089164733887 856653.625 10.81 |
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371 140.068130493164 7923872 100 |
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372 |
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373 RECORD_TITLE: MZ:146.1174 | RT:46.2 | grpid:62 | file:1 |
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374 MS$FOCUSED_ION: PRECURSOR_M/Z 146.117395027245 |
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375 AC$CHROMATOGRAPHY: RETENTION_TIME 46.161033 |
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376 XCMS groupid (grpid): 62 |
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377 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
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378 PK$NUM_PEAK: 14 |
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379 PK$PEAK: m/z int. rel.int. |
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380 100.021820068359 11993.6435546875 1 |
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381 101.070411682129 2306.69653320312 0.19 |
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382 102.055847167969 2466.92114257812 0.21 |
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383 108.055770874023 9930.2236328125 0.83 |
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384 118.065433502197 12587.3408203125 1.05 |
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385 125.844314575195 2225.98388671875 0.19 |
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386 128.070991516113 7382.12426757812 0.62 |
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387 130.04956817627 23307.3033447266 1.95 |
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388 130.086532592773 3415.60205078125 0.29 |
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389 146.028610229492 10309.349609375 0.86 |
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390 146.059936523438 9525.1728515625 0.8 |
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391 146.117546081543 1193844 100 |
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392 147.075866699219 2905.49487304688 0.24 |
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393 150.785629272461 2500.5302734375 0.21 |
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394 |
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395 RECORD_TITLE: MZ:146.1174 | RT:46.2 | grpid:62 | file:1 |
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fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
396 MS$FOCUSED_ION: PRECURSOR_M/Z 146.117395027245 |
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fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
397 AC$CHROMATOGRAPHY: RETENTION_TIME 46.161033 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
398 XCMS groupid (grpid): 62 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
399 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
400 PK$NUM_PEAK: 14 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
401 PK$PEAK: m/z int. rel.int. |
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fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
402 100.021820068359 11993.6435546875 1 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
403 101.070411682129 2306.69653320312 0.19 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
404 102.055847167969 2466.92114257812 0.21 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
405 108.055770874023 9930.2236328125 0.83 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
406 118.065433502197 12587.3408203125 1.05 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
407 125.844314575195 2225.98388671875 0.19 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
408 128.070991516113 7382.12426757812 0.62 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
409 130.04956817627 23307.3033447266 1.95 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
410 130.086532592773 3415.60205078125 0.29 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
411 146.028610229492 10309.349609375 0.86 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
412 146.059936523438 9525.1728515625 0.8 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
413 146.117546081543 1193844 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
414 147.075866699219 2905.49487304688 0.24 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
415 150.785629272461 2500.5302734375 0.21 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
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diff
changeset
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416 |
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fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
417 RECORD_TITLE: MZ:146.1174 | RT:46.2 | grpid:62 | file:2 |
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fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
418 MS$FOCUSED_ION: PRECURSOR_M/Z 146.117395027245 |
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fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
419 AC$CHROMATOGRAPHY: RETENTION_TIME 46.161033 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
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diff
changeset
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420 XCMS groupid (grpid): 62 |
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fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
421 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
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fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
422 PK$NUM_PEAK: 12 |
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fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
423 PK$PEAK: m/z int. rel.int. |
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fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
424 100.021903991699 25367.83984375 0.29 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
425 108.055786132812 12792.4772949219 0.15 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
426 112.465751647949 20960.951171875 0.24 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
427 114.566963195801 2266.10009765625 0.03 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
428 115.129852294922 2413.13818359375 0.03 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
429 118.06534576416 21870.080078125 0.25 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
430 128.070281982422 32862.80078125 0.37 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
431 130.049789428711 2536.23486328125 0.03 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
432 144.766357421875 23252.271484375 0.27 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
433 146.028137207031 3722.75390625 0.04 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
434 146.059906005859 12109.3056640625 0.14 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
435 146.117530822754 8768827.90625 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
436 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
437 RECORD_TITLE: MZ:146.1174 | RT:46.2 | grpid:62 | file:2 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
438 MS$FOCUSED_ION: PRECURSOR_M/Z 146.117395027245 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
439 AC$CHROMATOGRAPHY: RETENTION_TIME 46.161033 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
440 XCMS groupid (grpid): 62 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
441 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
442 PK$NUM_PEAK: 12 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
443 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
444 100.021903991699 25367.83984375 0.29 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
445 108.055786132812 12792.4772949219 0.15 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
446 112.465751647949 20960.951171875 0.24 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
447 114.566963195801 2266.10009765625 0.03 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
448 115.129852294922 2413.13818359375 0.03 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
449 118.06534576416 21870.080078125 0.25 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
450 128.070281982422 32862.80078125 0.37 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
451 130.049789428711 2536.23486328125 0.03 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
452 144.766357421875 23252.271484375 0.27 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
453 146.028137207031 3722.75390625 0.04 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
454 146.059906005859 12109.3056640625 0.14 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
455 146.117530822754 8768827.90625 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
456 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
457 RECORD_TITLE: MZ:147.0438 | RT:70.5 | grpid:63 | file:1 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
458 MS$FOCUSED_ION: PRECURSOR_M/Z 147.043849698061 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
459 AC$CHROMATOGRAPHY: RETENTION_TIME 70.461672 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
460 XCMS groupid (grpid): 63 |
|
fc9bb7e49a3a
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 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
462 PK$NUM_PEAK: 16 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
463 PK$PEAK: m/z int. rel.int. |
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fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
464 101.071262359619 3886.935546875 0.12 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
465 102.047164916992 3041.80541992188 0.09 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
466 102.05525970459 4850.5537109375 0.15 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
467 103.048835754395 5009.00244140625 0.15 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
468 103.054618835449 213717.8203125 6.4 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
469 119.049327850342 3338372.375 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
470 120.011581420898 2644.65014648438 0.08 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
471 123.77320098877 3188.40380859375 0.1 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
472 129.069915771484 3654.64453125 0.11 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
473 130.049987792969 62174.435546875 1.86 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
474 130.086250305176 102116.14453125 3.06 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
475 131.550384521484 3396.27563476562 0.1 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
476 136.545654296875 2581.0390625 0.08 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
477 147.043960571289 965761.59375 28.93 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
478 147.112770080566 13741.1342773438 0.41 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
479 160.075386047363 7738.67065429688 0.23 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
480 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
481 RECORD_TITLE: MZ:147.0438 | RT:70.5 | grpid:63 | file:1 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
482 MS$FOCUSED_ION: PRECURSOR_M/Z 147.043849698061 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
483 AC$CHROMATOGRAPHY: RETENTION_TIME 70.461672 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
484 XCMS groupid (grpid): 63 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
485 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
486 PK$NUM_PEAK: 16 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
487 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
488 101.071262359619 3886.935546875 0.12 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
489 102.047164916992 3041.80541992188 0.09 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
490 102.05525970459 4850.5537109375 0.15 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
491 103.048835754395 5009.00244140625 0.15 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
492 103.054618835449 213717.8203125 6.4 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
493 119.049327850342 3338372.375 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
494 120.011581420898 2644.65014648438 0.08 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
495 123.77320098877 3188.40380859375 0.1 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
496 129.069915771484 3654.64453125 0.11 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
497 130.049987792969 62174.435546875 1.86 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
498 130.086250305176 102116.14453125 3.06 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
499 131.550384521484 3396.27563476562 0.1 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
500 136.545654296875 2581.0390625 0.08 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
501 147.043960571289 965761.59375 28.93 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
502 147.112770080566 13741.1342773438 0.41 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
503 160.075386047363 7738.67065429688 0.23 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
504 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
505 RECORD_TITLE: MZ:147.0438 | RT:70.5 | grpid:63 | file:2 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
506 MS$FOCUSED_ION: PRECURSOR_M/Z 147.043849698061 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
507 AC$CHROMATOGRAPHY: RETENTION_TIME 70.461672 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
508 XCMS groupid (grpid): 63 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
509 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
510 PK$NUM_PEAK: 19 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
511 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
512 101.071437835693 3147.69982910156 0.1 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
513 102.055274963379 3918.08203125 0.12 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
514 103.054634094238 204152.4375 6.38 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
515 112.236755371094 2519.7568359375 0.08 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
516 119.049350738525 3199771.75 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
517 120.011337280273 3365.046875 0.11 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
518 124.979553222656 2343.61987304688 0.07 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
519 126.545722961426 2381.10522460938 0.07 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
520 129.070236206055 3304.68249511719 0.1 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
521 129.10237121582 3090.92822265625 0.1 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
522 130.05004119873 72739.57421875 2.27 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
523 130.076995849609 5364.62841796875 0.17 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
524 130.086288452148 88327.84375 2.76 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
525 147.043998718262 881235.84375 27.54 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
526 147.079299926758 12881.609375 0.4 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
527 147.080383300781 14796.041015625 0.46 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
528 147.112525939941 5690.29125976562 0.18 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
529 152.669158935547 2885.892578125 0.09 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
530 160.076179504395 3540.6630859375 0.11 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
531 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
532 RECORD_TITLE: MZ:147.0438 | RT:70.5 | grpid:63 | file:2 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
533 MS$FOCUSED_ION: PRECURSOR_M/Z 147.043849698061 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
534 AC$CHROMATOGRAPHY: RETENTION_TIME 70.461672 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
535 XCMS groupid (grpid): 63 |
|
fc9bb7e49a3a
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 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
537 PK$NUM_PEAK: 19 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
538 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
539 101.071437835693 3147.69982910156 0.1 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
540 102.055274963379 3918.08203125 0.12 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
541 103.054634094238 204152.4375 6.38 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
542 112.236755371094 2519.7568359375 0.08 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
543 119.049350738525 3199771.75 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
544 120.011337280273 3365.046875 0.11 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
545 124.979553222656 2343.61987304688 0.07 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
546 126.545722961426 2381.10522460938 0.07 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
547 129.070236206055 3304.68249511719 0.1 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
548 129.10237121582 3090.92822265625 0.1 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
549 130.05004119873 72739.57421875 2.27 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
550 130.076995849609 5364.62841796875 0.17 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
551 130.086288452148 88327.84375 2.76 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
552 147.043998718262 881235.84375 27.54 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
553 147.079299926758 12881.609375 0.4 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
554 147.080383300781 14796.041015625 0.46 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
555 147.112525939941 5690.29125976562 0.18 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
556 152.669158935547 2885.892578125 0.09 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
557 160.076179504395 3540.6630859375 0.11 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
558 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
559 RECORD_TITLE: MZ:148.0427 | RT:64.4 | grpid:66 | file:1 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
560 MS$FOCUSED_ION: PRECURSOR_M/Z 148.042683925669 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
561 AC$CHROMATOGRAPHY: RETENTION_TIME 64.427298 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
562 XCMS groupid (grpid): 66 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
563 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
564 PK$NUM_PEAK: 15 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
565 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
566 102.001251220703 418360.65625 27.27 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
567 102.037628173828 26940.125 1.76 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
568 102.055305480957 31787.623046875 2.07 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
569 102.902954101562 2297.19018554688 0.15 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
570 103.082748413086 2655.95483398438 0.17 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
571 120.011619567871 1534089.125 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
572 122.01634979248 2559.43994140625 0.17 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
573 130.050140380859 17183.017578125 1.12 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
574 130.085998535156 4824.86083984375 0.31 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
575 131.052658081055 3329.10791015625 0.22 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
576 131.089935302734 3828.04296875 0.25 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
577 133.019241333008 31002.017578125 2.02 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
578 134.02668762207 3603.13940429688 0.23 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
579 148.042633056641 1333085.75 86.9 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
580 160.701766967773 2493.13793945312 0.16 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
581 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
582 RECORD_TITLE: MZ:148.0427 | RT:64.4 | grpid:66 | file:1 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
583 MS$FOCUSED_ION: PRECURSOR_M/Z 148.042683925669 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
584 AC$CHROMATOGRAPHY: RETENTION_TIME 64.427298 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
585 XCMS groupid (grpid): 66 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
586 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
587 PK$NUM_PEAK: 15 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
588 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
589 102.001251220703 418360.65625 27.27 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
590 102.037628173828 26940.125 1.76 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
591 102.055305480957 31787.623046875 2.07 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
592 102.902954101562 2297.19018554688 0.15 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
593 103.082748413086 2655.95483398438 0.17 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
594 120.011619567871 1534089.125 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
595 122.01634979248 2559.43994140625 0.17 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
596 130.050140380859 17183.017578125 1.12 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
597 130.085998535156 4824.86083984375 0.31 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
598 131.052658081055 3329.10791015625 0.22 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
599 131.089935302734 3828.04296875 0.25 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
600 133.019241333008 31002.017578125 2.02 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
601 134.02668762207 3603.13940429688 0.23 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
602 148.042633056641 1333085.75 86.9 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
603 160.701766967773 2493.13793945312 0.16 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
604 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
605 RECORD_TITLE: MZ:148.0427 | RT:64.4 | grpid:66 | file:2 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
606 MS$FOCUSED_ION: PRECURSOR_M/Z 148.042683925669 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
607 AC$CHROMATOGRAPHY: RETENTION_TIME 64.427298 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
608 XCMS groupid (grpid): 66 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
609 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
610 PK$NUM_PEAK: 12 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
611 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
612 102.00122833252 571447.9375 28.8 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
613 102.037757873535 37633.34765625 1.9 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
614 102.055305480957 19940.044921875 1.01 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
615 120.011611938477 1984001.875 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
616 130.050033569336 15060.462890625 0.76 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
617 130.086196899414 5560.50439453125 0.28 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
618 131.053466796875 4939.97802734375 0.25 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
619 131.089218139648 4804.13818359375 0.24 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
620 133.019287109375 34545.609375 1.74 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
621 134.027465820312 5199.03125 0.26 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
622 148.042617797852 1724357.375 86.91 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
623 157.48600769043 2885.98486328125 0.15 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
624 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
625 RECORD_TITLE: MZ:148.0427 | RT:64.4 | grpid:66 | file:2 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
626 MS$FOCUSED_ION: PRECURSOR_M/Z 148.042683925669 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
627 AC$CHROMATOGRAPHY: RETENTION_TIME 64.427298 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
628 XCMS groupid (grpid): 66 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
629 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
630 PK$NUM_PEAK: 12 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
631 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
632 102.00122833252 571447.9375 28.8 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
633 102.037757873535 37633.34765625 1.9 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
634 102.055305480957 19940.044921875 1.01 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
635 120.011611938477 1984001.875 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
636 130.050033569336 15060.462890625 0.76 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
637 130.086196899414 5560.50439453125 0.28 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
638 131.053466796875 4939.97802734375 0.25 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
639 131.089218139648 4804.13818359375 0.24 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
640 133.019287109375 34545.609375 1.74 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
641 134.027465820312 5199.03125 0.26 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
642 148.042617797852 1724357.375 86.91 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
643 157.48600769043 2885.98486328125 0.15 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
644 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
645 RECORD_TITLE: MZ:149.0263 | RT:91.2 | grpid:67 | file:1 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
646 MS$FOCUSED_ION: PRECURSOR_M/Z 149.026338801704 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
647 AC$CHROMATOGRAPHY: RETENTION_TIME 91.18956 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
648 XCMS groupid (grpid): 67 |
|
fc9bb7e49a3a
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 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
650 PK$NUM_PEAK: 22 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
651 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
652 104.016586303711 38437.609375 1.57 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
653 109.031661987305 21351.47265625 0.87 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
654 111.011131286621 2452703.75 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
655 112.343109130859 2894.3193359375 0.12 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
656 113.015518188477 4849.234375 0.2 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
657 115.005714416504 3792.97241210938 0.15 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
658 116.98600769043 54908.22265625 2.24 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
659 120.011344909668 270582.1875 11.03 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
660 121.015243530273 3457.28002929688 0.14 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
661 121.028663635254 77434.7109375 3.16 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
662 121.038375854492 5408.986328125 0.22 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
663 125.026588439941 18016.30859375 0.73 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
664 129.021530151367 75003.7578125 3.06 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
665 131.049423217773 11337.5048828125 0.46 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
666 132.047546386719 5366.337890625 0.22 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
667 134.02685546875 160140.59375 6.53 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
668 134.996459960938 50629.9765625 2.06 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
669 140.00178527832 6121.4052734375 0.25 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
670 149.026306152344 1669850.25 68.08 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
671 152.037475585938 25918.962890625 1.06 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
672 153.007186889648 12562.2216796875 0.51 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
673 158.012786865234 17251.59375 0.7 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
674 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
675 RECORD_TITLE: MZ:149.0263 | RT:91.2 | grpid:67 | file:1 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
676 MS$FOCUSED_ION: PRECURSOR_M/Z 149.026338801704 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
677 AC$CHROMATOGRAPHY: RETENTION_TIME 91.18956 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
678 XCMS groupid (grpid): 67 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
679 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
680 PK$NUM_PEAK: 22 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
681 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
682 104.016586303711 38437.609375 1.57 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
683 109.031661987305 21351.47265625 0.87 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
684 111.011131286621 2452703.75 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
685 112.343109130859 2894.3193359375 0.12 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
686 113.015518188477 4849.234375 0.2 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
687 115.005714416504 3792.97241210938 0.15 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
688 116.98600769043 54908.22265625 2.24 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
689 120.011344909668 270582.1875 11.03 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
690 121.015243530273 3457.28002929688 0.14 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
691 121.028663635254 77434.7109375 3.16 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
692 121.038375854492 5408.986328125 0.22 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
693 125.026588439941 18016.30859375 0.73 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
694 129.021530151367 75003.7578125 3.06 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
695 131.049423217773 11337.5048828125 0.46 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
696 132.047546386719 5366.337890625 0.22 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
697 134.02685546875 160140.59375 6.53 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
698 134.996459960938 50629.9765625 2.06 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
699 140.00178527832 6121.4052734375 0.25 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
700 149.026306152344 1669850.25 68.08 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
701 152.037475585938 25918.962890625 1.06 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
702 153.007186889648 12562.2216796875 0.51 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
703 158.012786865234 17251.59375 0.7 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
704 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
705 RECORD_TITLE: MZ:149.0263 | RT:91.2 | grpid:67 | file:2 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
706 MS$FOCUSED_ION: PRECURSOR_M/Z 149.026338801704 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
707 AC$CHROMATOGRAPHY: RETENTION_TIME 91.18956 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
708 XCMS groupid (grpid): 67 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
709 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
710 PK$NUM_PEAK: 22 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
711 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
712 104.0166015625 32986.94921875 1.39 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
713 109.032051086426 26353.259765625 1.11 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
714 110.097152709961 2624.76928710938 0.11 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
715 111.011177062988 2377988.25 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
716 113.015480041504 5828.708984375 0.25 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
717 116.986236572266 54954.22265625 2.31 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
718 120.01139831543 238866.125 10.04 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
719 121.015419006348 4123.71875 0.17 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
720 121.028648376465 78656.65625 3.31 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
721 121.03840637207 5238.35595703125 0.22 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
722 121.065780639648 3160.08813476562 0.13 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
723 125.026496887207 18683.44921875 0.79 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
724 129.021499633789 78875.828125 3.32 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
725 131.049285888672 3986.47094726562 0.17 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
726 134.026901245117 148034.796875 6.23 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
727 134.996490478516 57903.265625 2.43 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
728 136.622482299805 2669.64990234375 0.11 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
729 140.001846313477 5695.8232421875 0.24 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
730 149.026336669922 1653409.625 69.53 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
731 152.037338256836 21732.1015625 0.91 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
732 153.007202148438 10810.724609375 0.45 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
733 158.012619018555 19154.71875 0.81 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
734 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
735 RECORD_TITLE: MZ:149.0263 | RT:91.2 | grpid:67 | file:2 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
736 MS$FOCUSED_ION: PRECURSOR_M/Z 149.026338801704 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
737 AC$CHROMATOGRAPHY: RETENTION_TIME 91.18956 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
738 XCMS groupid (grpid): 67 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
739 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
740 PK$NUM_PEAK: 22 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
741 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
742 104.0166015625 32986.94921875 1.39 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
743 109.032051086426 26353.259765625 1.11 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
744 110.097152709961 2624.76928710938 0.11 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
745 111.011177062988 2377988.25 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
746 113.015480041504 5828.708984375 0.25 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
747 116.986236572266 54954.22265625 2.31 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
748 120.01139831543 238866.125 10.04 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
749 121.015419006348 4123.71875 0.17 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
750 121.028648376465 78656.65625 3.31 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
751 121.03840637207 5238.35595703125 0.22 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
752 121.065780639648 3160.08813476562 0.13 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
753 125.026496887207 18683.44921875 0.79 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
754 129.021499633789 78875.828125 3.32 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
755 131.049285888672 3986.47094726562 0.17 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
756 134.026901245117 148034.796875 6.23 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
757 134.996490478516 57903.265625 2.43 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
758 136.622482299805 2669.64990234375 0.11 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
759 140.001846313477 5695.8232421875 0.24 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
760 149.026336669922 1653409.625 69.53 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
761 152.037338256836 21732.1015625 0.91 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
762 153.007202148438 10810.724609375 0.45 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
763 158.012619018555 19154.71875 0.81 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
764 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
765 RECORD_TITLE: MZ:150.0582 | RT:62.9 | grpid:68 | file:1 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
766 MS$FOCUSED_ION: PRECURSOR_M/Z 150.058153535588 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
767 AC$CHROMATOGRAPHY: RETENTION_TIME 62.924034 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
768 XCMS groupid (grpid): 68 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
769 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
770 PK$NUM_PEAK: 17 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
771 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
772 101.579109191895 20766.212890625 0.29 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
773 102.055431365967 2102817.74414062 29.74 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
774 103.99649810791 3555.7119140625 0.05 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
775 104.053279876709 7070166.28125 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
776 105.000991821289 131116.5625 1.85 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
777 105.037223815918 266003.90625 3.76 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
778 122.007637023926 16069.3701171875 0.23 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
779 122.059936523438 4208.95556640625 0.06 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
780 133.031852722168 4773374.58984375 67.51 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
781 143.242492675781 2529.74877929688 0.04 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
782 150.026901245117 18927.78125 0.27 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
783 150.038436889648 53040.2255859375 0.75 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
784 150.058174133301 855957.834960938 12.11 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
785 150.09162902832 3476.15454101562 0.05 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
786 150.112930297852 3834.1953125 0.05 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
787 150.127395629883 4024.62670898438 0.06 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
788 155.097625732422 22783.2734375 0.32 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
789 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
790 RECORD_TITLE: MZ:150.0582 | RT:62.9 | grpid:68 | file:1 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
791 MS$FOCUSED_ION: PRECURSOR_M/Z 150.058153535588 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
792 AC$CHROMATOGRAPHY: RETENTION_TIME 62.924034 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
793 XCMS groupid (grpid): 68 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
794 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
795 PK$NUM_PEAK: 17 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
796 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
797 101.579109191895 20766.212890625 0.29 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
798 102.055431365967 2102817.74414062 29.74 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
799 103.99649810791 3555.7119140625 0.05 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
800 104.053279876709 7070166.28125 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
801 105.000991821289 131116.5625 1.85 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
802 105.037223815918 266003.90625 3.76 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
803 122.007637023926 16069.3701171875 0.23 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
804 122.059936523438 4208.95556640625 0.06 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
805 133.031852722168 4773374.58984375 67.51 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
806 143.242492675781 2529.74877929688 0.04 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
807 150.026901245117 18927.78125 0.27 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
808 150.038436889648 53040.2255859375 0.75 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
809 150.058174133301 855957.834960938 12.11 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
810 150.09162902832 3476.15454101562 0.05 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
811 150.112930297852 3834.1953125 0.05 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
812 150.127395629883 4024.62670898438 0.06 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
813 155.097625732422 22783.2734375 0.32 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
814 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
815 RECORD_TITLE: MZ:150.0582 | RT:62.9 | grpid:68 | file:2 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
816 MS$FOCUSED_ION: PRECURSOR_M/Z 150.058153535588 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
817 AC$CHROMATOGRAPHY: RETENTION_TIME 62.924034 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
818 XCMS groupid (grpid): 68 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
819 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
820 PK$NUM_PEAK: 18 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
821 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
822 102.055393218994 2337654.50390625 28.72 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
823 103.997314453125 2148.16162109375 0.03 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
824 104.053230285645 8140050.40625 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
825 105.000915527344 196574.15625 2.41 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
826 105.03719329834 273244.0625 3.36 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
827 106.336433410645 2694.6591796875 0.03 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
828 115.794555664062 2042.23522949219 0.03 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
829 117.98902130127 2109.99584960938 0.03 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
830 122.007164001465 12221.623046875 0.15 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
831 124.446136474609 1894.35131835938 0.02 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
832 133.031875610352 5445343.41015625 66.9 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
833 137.41633605957 30549.828125 0.38 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
834 150.027542114258 16453.501953125 0.2 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
835 150.038208007812 13264.7509765625 0.16 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
836 150.058059692383 994071.249511719 12.21 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
837 150.090744018555 4340.6669921875 0.05 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
838 150.112060546875 5071.3125 0.06 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
839 150.128646850586 2830.20849609375 0.03 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
840 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
841 RECORD_TITLE: MZ:150.0582 | RT:62.9 | grpid:68 | file:2 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
842 MS$FOCUSED_ION: PRECURSOR_M/Z 150.058153535588 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
843 AC$CHROMATOGRAPHY: RETENTION_TIME 62.924034 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
844 XCMS groupid (grpid): 68 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
845 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
846 PK$NUM_PEAK: 18 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
847 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
848 102.055393218994 2337654.50390625 28.72 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
849 103.997314453125 2148.16162109375 0.03 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
850 104.053230285645 8140050.40625 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
851 105.000915527344 196574.15625 2.41 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
852 105.03719329834 273244.0625 3.36 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
853 106.336433410645 2694.6591796875 0.03 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
854 115.794555664062 2042.23522949219 0.03 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
855 117.98902130127 2109.99584960938 0.03 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
856 122.007164001465 12221.623046875 0.15 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
857 124.446136474609 1894.35131835938 0.02 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
858 133.031875610352 5445343.41015625 66.9 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
859 137.41633605957 30549.828125 0.38 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
860 150.027542114258 16453.501953125 0.2 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
861 150.038208007812 13264.7509765625 0.16 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
862 150.058059692383 994071.249511719 12.21 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
863 150.090744018555 4340.6669921875 0.05 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
864 150.112060546875 5071.3125 0.06 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
865 150.128646850586 2830.20849609375 0.03 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
866 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
867 RECORD_TITLE: MZ:153.0407 | RT:84.2 | grpid:72 | file:1 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
868 MS$FOCUSED_ION: PRECURSOR_M/Z 153.040721562011 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
869 AC$CHROMATOGRAPHY: RETENTION_TIME 84.215802 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
870 XCMS groupid (grpid): 72 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
871 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
872 PK$NUM_PEAK: 31 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
873 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
874 100.120269775391 2219.037109375 0.05 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
875 107.085754394531 12394.3017578125 0.28 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
876 108.01936340332 17292.517578125 0.39 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
877 108.443885803223 2329.408203125 0.05 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
878 109.10099029541 3362.6435546875 0.08 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
879 110.035255432129 1259099.125 28.25 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
880 111.044418334961 11947.40625 0.27 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
881 111.080368041992 2874.97290039062 0.06 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
882 113.00806427002 19917.9453125 0.45 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
883 114.882606506348 2383.2900390625 0.05 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
884 115.012451171875 20400.2109375 0.46 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
885 116.986083984375 5402.39453125 0.12 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
886 121.812217712402 11519.919921875 0.26 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
887 125.071716308594 3712.6376953125 0.08 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
888 128.045692443848 235775.19140625 5.29 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
889 134.996383666992 5005.0556640625 0.11 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
890 135.030319213867 41715.8624267578 0.94 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
891 135.080642700195 3373.82641601562 0.08 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
892 135.117233276367 3593.927734375 0.08 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
893 135.805206298828 11823.5634765625 0.27 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
894 136.014190673828 2004125.546875 44.96 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
895 137.058334350586 2331.7724609375 0.05 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
896 140.413299560547 2165.29467773438 0.05 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
897 146.555084228516 2194.45166015625 0.05 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
898 148.740234375 2312.7158203125 0.05 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
899 153.040710449219 4457245.875 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
900 153.090744018555 15144.04296875 0.34 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
901 153.127243041992 12641.9697265625 0.28 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
902 154.024688720703 1908936.8125 42.83 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
903 158.011642456055 3504.88745117188 0.08 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
904 168.04069519043 26535.353515625 0.6 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
905 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
906 RECORD_TITLE: MZ:153.0407 | RT:84.2 | grpid:72 | file:1 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
907 MS$FOCUSED_ION: PRECURSOR_M/Z 153.040721562011 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
908 AC$CHROMATOGRAPHY: RETENTION_TIME 84.215802 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
909 XCMS groupid (grpid): 72 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
910 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
911 PK$NUM_PEAK: 31 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
912 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
913 100.120269775391 2219.037109375 0.05 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
914 107.085754394531 12394.3017578125 0.28 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
915 108.01936340332 17292.517578125 0.39 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
916 108.443885803223 2329.408203125 0.05 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
917 109.10099029541 3362.6435546875 0.08 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
918 110.035255432129 1259099.125 28.25 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
919 111.044418334961 11947.40625 0.27 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
920 111.080368041992 2874.97290039062 0.06 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
921 113.00806427002 19917.9453125 0.45 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
922 114.882606506348 2383.2900390625 0.05 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
923 115.012451171875 20400.2109375 0.46 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
924 116.986083984375 5402.39453125 0.12 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
925 121.812217712402 11519.919921875 0.26 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
926 125.071716308594 3712.6376953125 0.08 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
927 128.045692443848 235775.19140625 5.29 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
928 134.996383666992 5005.0556640625 0.11 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
929 135.030319213867 41715.8624267578 0.94 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
930 135.080642700195 3373.82641601562 0.08 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
931 135.117233276367 3593.927734375 0.08 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
932 135.805206298828 11823.5634765625 0.27 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
933 136.014190673828 2004125.546875 44.96 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
934 137.058334350586 2331.7724609375 0.05 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
935 140.413299560547 2165.29467773438 0.05 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
936 146.555084228516 2194.45166015625 0.05 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
937 148.740234375 2312.7158203125 0.05 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
938 153.040710449219 4457245.875 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
939 153.090744018555 15144.04296875 0.34 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
940 153.127243041992 12641.9697265625 0.28 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
941 154.024688720703 1908936.8125 42.83 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
942 158.011642456055 3504.88745117188 0.08 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
943 168.04069519043 26535.353515625 0.6 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
944 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
945 RECORD_TITLE: MZ:153.0407 | RT:84.2 | grpid:72 | file:2 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
946 MS$FOCUSED_ION: PRECURSOR_M/Z 153.040721562011 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
947 AC$CHROMATOGRAPHY: RETENTION_TIME 84.215802 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
948 XCMS groupid (grpid): 72 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
949 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
950 PK$NUM_PEAK: 12 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
951 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
952 107.08570098877 6882.98583984375 0.3 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
953 108.01944732666 4910.62548828125 0.22 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
954 110.035224914551 821798 36.3 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
955 116.986141204834 8859.70532226562 0.39 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
956 125.060371398926 3947.40478515625 0.17 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
957 128.04557800293 186179.359375 8.22 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
958 134.996376037598 11100.2182617188 0.49 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
959 135.030151367188 10761.2744140625 0.48 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
960 136.01416015625 548141.125 24.21 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
961 153.04069519043 2264089.75 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
962 153.127418518066 11725.7854003906 0.52 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
963 154.024642944336 1115687.625 49.28 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
964 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
965 RECORD_TITLE: MZ:153.0407 | RT:84.2 | grpid:72 | file:2 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
966 MS$FOCUSED_ION: PRECURSOR_M/Z 153.040721562011 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
967 AC$CHROMATOGRAPHY: RETENTION_TIME 84.215802 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
968 XCMS groupid (grpid): 72 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
969 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
970 PK$NUM_PEAK: 12 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
971 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
972 107.08570098877 6882.98583984375 0.3 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
973 108.01944732666 4910.62548828125 0.22 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
974 110.035224914551 821798 36.3 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
975 116.986141204834 8859.70532226562 0.39 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
976 125.060371398926 3947.40478515625 0.17 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
977 128.04557800293 186179.359375 8.22 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
978 134.996376037598 11100.2182617188 0.49 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
979 135.030151367188 10761.2744140625 0.48 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
980 136.01416015625 548141.125 24.21 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
981 153.04069519043 2264089.75 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
982 153.127418518066 11725.7854003906 0.52 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
983 154.024642944336 1115687.625 49.28 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
984 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
985 RECORD_TITLE: MZ:156.0762 | RT:47.7 | grpid:75 | file:1 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
986 MS$FOCUSED_ION: PRECURSOR_M/Z 156.076172444314 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
987 AC$CHROMATOGRAPHY: RETENTION_TIME 47.662548 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
988 XCMS groupid (grpid): 75 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
989 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
990 PK$NUM_PEAK: 7 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
991 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
992 110.071613311768 231401.40625 50.67 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
993 111.068412780762 74264.7734375 16.26 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
994 111.074989318848 456690.28125 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
995 130.062957763672 212641.395141602 46.56 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
996 139.111877441406 3248.52099609375 0.71 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
997 157.080718994141 81711.703125 17.89 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
998 157.097686767578 8786.46240234375 1.92 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
999 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1000 RECORD_TITLE: MZ:156.0762 | RT:47.7 | grpid:75 | file:1 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1001 MS$FOCUSED_ION: PRECURSOR_M/Z 156.076172444314 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1002 AC$CHROMATOGRAPHY: RETENTION_TIME 47.662548 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1003 XCMS groupid (grpid): 75 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1004 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1005 PK$NUM_PEAK: 7 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1006 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1007 110.071613311768 231401.40625 50.67 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1008 111.068412780762 74264.7734375 16.26 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1009 111.074989318848 456690.28125 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1010 130.062957763672 212641.395141602 46.56 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1011 139.111877441406 3248.52099609375 0.71 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1012 157.080718994141 81711.703125 17.89 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1013 157.097686767578 8786.46240234375 1.92 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1014 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1015 RECORD_TITLE: MZ:156.0762 | RT:47.7 | grpid:75 | file:2 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1016 MS$FOCUSED_ION: PRECURSOR_M/Z 156.076172444314 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1017 AC$CHROMATOGRAPHY: RETENTION_TIME 47.662548 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1018 XCMS groupid (grpid): 75 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1019 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1020 PK$NUM_PEAK: 6 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1021 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1022 110.071636199951 235131.21875 47.69 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1023 111.068435668945 76372.7890625 15.49 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1024 111.075004577637 493008.875 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1025 121.10139465332 2579.52172851562 0.52 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1026 139.086585998535 11337.1794433594 2.3 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1027 157.080718994141 79274.4609375 16.08 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1028 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1029 RECORD_TITLE: MZ:156.0762 | RT:47.7 | grpid:75 | file:2 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1030 MS$FOCUSED_ION: PRECURSOR_M/Z 156.076172444314 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1031 AC$CHROMATOGRAPHY: RETENTION_TIME 47.662548 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1032 XCMS groupid (grpid): 75 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1033 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1034 PK$NUM_PEAK: 6 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1035 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1036 110.071636199951 235131.21875 47.69 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1037 111.068435668945 76372.7890625 15.49 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1038 111.075004577637 493008.875 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1039 121.10139465332 2579.52172851562 0.52 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1040 139.086585998535 11337.1794433594 2.3 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1041 157.080718994141 79274.4609375 16.08 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1042 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1043 RECORD_TITLE: MZ:158.0912 | RT:43.9 | grpid:77 | file:1 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1044 MS$FOCUSED_ION: PRECURSOR_M/Z 158.091194778484 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1045 AC$CHROMATOGRAPHY: RETENTION_TIME 43.9150368 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1046 XCMS groupid (grpid): 77 |
|
fc9bb7e49a3a
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 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1048 PK$NUM_PEAK: 11 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1049 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1050 102.091850280762 34783.19921875 10.7 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1051 107.244758605957 2121.91967773438 0.65 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1052 110.07160949707 3791.80151367188 1.17 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1053 112.087249755859 158544.46875 48.75 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1054 113.071388244629 4898.7001953125 1.51 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1055 115.08674621582 2881.50634765625 0.89 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1056 116.07105255127 45644.90234375 14.04 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1057 141.065841674805 12014.9599609375 3.69 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1058 158.092422485352 325199.53125 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1059 158.153823852539 69871.78125 21.49 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1060 159.077056884766 3031.5615234375 0.93 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1061 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1062 RECORD_TITLE: MZ:158.0912 | RT:43.9 | grpid:77 | file:1 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1063 MS$FOCUSED_ION: PRECURSOR_M/Z 158.091194778484 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1064 AC$CHROMATOGRAPHY: RETENTION_TIME 43.9150368 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1065 XCMS groupid (grpid): 77 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1066 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1067 PK$NUM_PEAK: 11 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1068 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1069 102.091850280762 34783.19921875 10.7 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1070 107.244758605957 2121.91967773438 0.65 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1071 110.07160949707 3791.80151367188 1.17 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1072 112.087249755859 158544.46875 48.75 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1073 113.071388244629 4898.7001953125 1.51 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1074 115.08674621582 2881.50634765625 0.89 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1075 116.07105255127 45644.90234375 14.04 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1076 141.065841674805 12014.9599609375 3.69 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1077 158.092422485352 325199.53125 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1078 158.153823852539 69871.78125 21.49 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1079 159.077056884766 3031.5615234375 0.93 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1080 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1081 RECORD_TITLE: MZ:158.0912 | RT:43.9 | grpid:77 | file:2 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1082 MS$FOCUSED_ION: PRECURSOR_M/Z 158.091194778484 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1083 AC$CHROMATOGRAPHY: RETENTION_TIME 43.9150368 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1084 XCMS groupid (grpid): 77 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1085 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1086 PK$NUM_PEAK: 13 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1087 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1088 102.091728210449 38012.30078125 14 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1089 110.071365356445 5420.17724609375 2 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1090 112.079177856445 4014.5673828125 1.48 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1091 112.087257385254 113204.078125 41.71 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1092 116.070816040039 34744.171875 12.8 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1093 131.929992675781 2230.50756835938 0.82 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1094 141.065704345703 4895.40673828125 1.8 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1095 154.506774902344 2119.57861328125 0.78 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1096 158.092391967773 271429.09375 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1097 158.154037475586 81701.859375 30.1 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1098 158.583435058594 2426.4375 0.89 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1099 159.076904296875 3193.85131835938 1.18 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1100 159.090621948242 2369.67138671875 0.87 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1101 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1102 RECORD_TITLE: MZ:158.0912 | RT:43.9 | grpid:77 | file:2 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1103 MS$FOCUSED_ION: PRECURSOR_M/Z 158.091194778484 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1104 AC$CHROMATOGRAPHY: RETENTION_TIME 43.9150368 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1105 XCMS groupid (grpid): 77 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1106 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1107 PK$NUM_PEAK: 13 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1108 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1109 102.091728210449 38012.30078125 14 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1110 110.071365356445 5420.17724609375 2 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1111 112.079177856445 4014.5673828125 1.48 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1112 112.087257385254 113204.078125 41.71 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1113 116.070816040039 34744.171875 12.8 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1114 131.929992675781 2230.50756835938 0.82 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1115 141.065704345703 4895.40673828125 1.8 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1116 154.506774902344 2119.57861328125 0.78 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1117 158.092391967773 271429.09375 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1118 158.154037475586 81701.859375 30.1 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1119 158.583435058594 2426.4375 0.89 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1120 159.076904296875 3193.85131835938 1.18 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1121 159.090621948242 2369.67138671875 0.87 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1122 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1123 RECORD_TITLE: MZ:164.93 | RT:40.2 | grpid:88 | file:1 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1124 MS$FOCUSED_ION: PRECURSOR_M/Z 164.929981664987 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1125 AC$CHROMATOGRAPHY: RETENTION_TIME 40.1901702 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1126 XCMS groupid (grpid): 88 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1127 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1128 PK$NUM_PEAK: 3 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1129 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1130 113.554153442383 2184.888671875 0.2 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1131 164.930191040039 1087757.25 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1132 165.09033203125 2780.28442382812 0.26 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1133 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1134 RECORD_TITLE: MZ:164.93 | RT:40.2 | grpid:88 | file:1 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1135 MS$FOCUSED_ION: PRECURSOR_M/Z 164.929981664987 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1136 AC$CHROMATOGRAPHY: RETENTION_TIME 40.1901702 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1137 XCMS groupid (grpid): 88 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1138 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1139 PK$NUM_PEAK: 3 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1140 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1141 113.554153442383 2184.888671875 0.2 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1142 164.930191040039 1087757.25 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1143 165.09033203125 2780.28442382812 0.26 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1144 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1145 RECORD_TITLE: MZ:164.93 | RT:40.2 | grpid:88 | file:2 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1146 MS$FOCUSED_ION: PRECURSOR_M/Z 164.929981664987 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1147 AC$CHROMATOGRAPHY: RETENTION_TIME 40.1901702 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1148 XCMS groupid (grpid): 88 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1149 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1150 PK$NUM_PEAK: 2 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1151 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1152 140.266235351562 2726.23486328125 0.26 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1153 164.930282592773 1068471.625 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1154 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1155 RECORD_TITLE: MZ:164.93 | RT:40.2 | grpid:88 | file:2 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1156 MS$FOCUSED_ION: PRECURSOR_M/Z 164.929981664987 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1157 AC$CHROMATOGRAPHY: RETENTION_TIME 40.1901702 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1158 XCMS groupid (grpid): 88 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1159 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1160 PK$NUM_PEAK: 2 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1161 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1162 140.266235351562 2726.23486328125 0.26 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1163 164.930282592773 1068471.625 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1164 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1165 RECORD_TITLE: MZ:165.0545 | RT:70.5 | grpid:89 | file:1 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1166 MS$FOCUSED_ION: PRECURSOR_M/Z 165.054460611227 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1167 AC$CHROMATOGRAPHY: RETENTION_TIME 70.461672 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1168 XCMS groupid (grpid): 89 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1169 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1170 PK$NUM_PEAK: 21 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1171 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1172 103.047622680664 7486.65576171875 0.25 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1173 103.054714202881 125062.22265625 4.19 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1174 105.044769287109 26794.7265625 0.9 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1175 107.049537658691 6146.01904296875 0.21 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1176 109.065135955811 90303.703125 3.02 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1177 110.195671081543 2245.8408203125 0.08 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1178 112.572219848633 2393.64599609375 0.08 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1179 119.049381256104 1338917.828125 44.84 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1180 119.961051940918 2566.78955078125 0.09 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1181 120.056350708008 3493.94995117188 0.12 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1182 120.808494567871 3175.38256835938 0.11 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1183 121.065071105957 72480.0131835938 2.43 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1184 123.044235229492 2986295.25 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1185 135.623550415039 2902.09716796875 0.1 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1186 137.049652099609 5130.408203125 0.17 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1187 137.059593200684 62643.9838867188 2.1 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1188 137.0966796875 2327.9169921875 0.08 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1189 147.043991088867 568027.22265625 19.02 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1190 164.070602416992 15849.2646484375 0.53 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1191 165.054588317871 150700.666015625 5.05 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1192 165.091033935547 3725.4970703125 0.12 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1193 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1194 RECORD_TITLE: MZ:165.0545 | RT:70.5 | grpid:89 | file:1 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1195 MS$FOCUSED_ION: PRECURSOR_M/Z 165.054460611227 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1196 AC$CHROMATOGRAPHY: RETENTION_TIME 70.461672 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1197 XCMS groupid (grpid): 89 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1198 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1199 PK$NUM_PEAK: 21 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1200 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1201 103.047622680664 7486.65576171875 0.25 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1202 103.054714202881 125062.22265625 4.19 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1203 105.044769287109 26794.7265625 0.9 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1204 107.049537658691 6146.01904296875 0.21 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1205 109.065135955811 90303.703125 3.02 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1206 110.195671081543 2245.8408203125 0.08 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1207 112.572219848633 2393.64599609375 0.08 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1208 119.049381256104 1338917.828125 44.84 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1209 119.961051940918 2566.78955078125 0.09 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1210 120.056350708008 3493.94995117188 0.12 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1211 120.808494567871 3175.38256835938 0.11 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1212 121.065071105957 72480.0131835938 2.43 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1213 123.044235229492 2986295.25 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1214 135.623550415039 2902.09716796875 0.1 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1215 137.049652099609 5130.408203125 0.17 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1216 137.059593200684 62643.9838867188 2.1 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1217 137.0966796875 2327.9169921875 0.08 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1218 147.043991088867 568027.22265625 19.02 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1219 164.070602416992 15849.2646484375 0.53 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1220 165.054588317871 150700.666015625 5.05 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1221 165.091033935547 3725.4970703125 0.12 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1222 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1223 RECORD_TITLE: MZ:165.0545 | RT:70.5 | grpid:89 | file:2 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1224 MS$FOCUSED_ION: PRECURSOR_M/Z 165.054460611227 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1225 AC$CHROMATOGRAPHY: RETENTION_TIME 70.461672 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1226 XCMS groupid (grpid): 89 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1227 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1228 PK$NUM_PEAK: 16 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1229 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1230 100.539291381836 3935.75927734375 0.04 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1231 103.054618835449 417247.46875 4.08 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1232 105.044906616211 40683.4765625 0.4 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1233 107.049537658691 10046.58203125 0.1 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1234 109.065093994141 317792.625 3.11 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1235 118.064872741699 5888.3603515625 0.06 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1236 119.049331665039 4706528.5 46.06 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1237 120.057350158691 6141.52197265625 0.06 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1238 121.064956665039 244430.125 2.39 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1239 123.044151306152 10217871 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1240 137.0595703125 230678.90625 2.26 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1241 137.070190429688 8523.322265625 0.08 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1242 147.043930053711 1982656.25 19.4 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1243 160.074890136719 7089.93896484375 0.07 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1244 164.070022583008 30664.130859375 0.3 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1245 165.054534912109 567130.625 5.55 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1246 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1247 RECORD_TITLE: MZ:165.0545 | RT:70.5 | grpid:89 | file:2 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1248 MS$FOCUSED_ION: PRECURSOR_M/Z 165.054460611227 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1249 AC$CHROMATOGRAPHY: RETENTION_TIME 70.461672 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1250 XCMS groupid (grpid): 89 |
|
fc9bb7e49a3a
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 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1252 PK$NUM_PEAK: 16 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1253 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1254 100.539291381836 3935.75927734375 0.04 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1255 103.054618835449 417247.46875 4.08 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1256 105.044906616211 40683.4765625 0.4 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1257 107.049537658691 10046.58203125 0.1 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1258 109.065093994141 317792.625 3.11 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1259 118.064872741699 5888.3603515625 0.06 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1260 119.049331665039 4706528.5 46.06 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1261 120.057350158691 6141.52197265625 0.06 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1262 121.064956665039 244430.125 2.39 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1263 123.044151306152 10217871 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1264 137.0595703125 230678.90625 2.26 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1265 137.070190429688 8523.322265625 0.08 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1266 147.043930053711 1982656.25 19.4 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1267 160.074890136719 7089.93896484375 0.07 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1268 164.070022583008 30664.130859375 0.3 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1269 165.054534912109 567130.625 5.55 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1270 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1271 RECORD_TITLE: MZ:170.0922 | RT:61.4 | grpid:97 | file:1 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1272 MS$FOCUSED_ION: PRECURSOR_M/Z 170.092213123268 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1273 AC$CHROMATOGRAPHY: RETENTION_TIME 61.39704 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1274 XCMS groupid (grpid): 97 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1275 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1276 PK$NUM_PEAK: 8 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1277 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1278 107.060668945312 13947.8642578125 0.27 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1279 109.076377868652 875055.4375 16.84 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1280 124.087074279785 5196432 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1281 125.07105255127 98465.453125 1.89 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1282 126.102600097656 31464.376953125 0.61 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1283 153.064628601074 7258.8037109375 0.14 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1284 153.075119018555 9385.91162109375 0.18 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1285 170.092407226562 1208969.5 23.27 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1286 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1287 RECORD_TITLE: MZ:170.0922 | RT:61.4 | grpid:97 | file:1 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1288 MS$FOCUSED_ION: PRECURSOR_M/Z 170.092213123268 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1289 AC$CHROMATOGRAPHY: RETENTION_TIME 61.39704 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1290 XCMS groupid (grpid): 97 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1291 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1292 PK$NUM_PEAK: 8 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1293 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1294 107.060668945312 13947.8642578125 0.27 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1295 109.076377868652 875055.4375 16.84 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1296 124.087074279785 5196432 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1297 125.07105255127 98465.453125 1.89 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1298 126.102600097656 31464.376953125 0.61 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1299 153.064628601074 7258.8037109375 0.14 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1300 153.075119018555 9385.91162109375 0.18 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1301 170.092407226562 1208969.5 23.27 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1302 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1303 RECORD_TITLE: MZ:170.0922 | RT:61.4 | grpid:97 | file:2 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1304 MS$FOCUSED_ION: PRECURSOR_M/Z 170.092213123268 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1305 AC$CHROMATOGRAPHY: RETENTION_TIME 61.39704 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1306 XCMS groupid (grpid): 97 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1307 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1308 PK$NUM_PEAK: 8 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1309 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1310 107.060707092285 15373.5869140625 0.26 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1311 109.07633972168 978256.6875 16.52 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1312 124.087051391602 5920406.5 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1313 125.071044921875 102709.859375 1.73 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1314 126.1025390625 21559.130859375 0.36 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1315 152.082084655762 6166.54272460938 0.1 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1316 153.065475463867 16002.173828125 0.27 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1317 170.092330932617 1292886.25 21.84 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1318 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1319 RECORD_TITLE: MZ:170.0922 | RT:61.4 | grpid:97 | file:2 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1320 MS$FOCUSED_ION: PRECURSOR_M/Z 170.092213123268 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1321 AC$CHROMATOGRAPHY: RETENTION_TIME 61.39704 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1322 XCMS groupid (grpid): 97 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1323 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1324 PK$NUM_PEAK: 8 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1325 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1326 107.060707092285 15373.5869140625 0.26 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1327 109.07633972168 978256.6875 16.52 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1328 124.087051391602 5920406.5 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1329 125.071044921875 102709.859375 1.73 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1330 126.1025390625 21559.130859375 0.36 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1331 152.082084655762 6166.54272460938 0.1 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1332 153.065475463867 16002.173828125 0.27 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1333 170.092330932617 1292886.25 21.84 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1334 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1335 RECORD_TITLE: MZ:178.0573 | RT:45.4 | grpid:106 | file:1 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1336 MS$FOCUSED_ION: PRECURSOR_M/Z 178.057265428919 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1337 AC$CHROMATOGRAPHY: RETENTION_TIME 45.3966672 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1338 XCMS groupid (grpid): 106 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1339 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1340 PK$NUM_PEAK: 8 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1341 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1342 105.042701721191 18699.494140625 1.23 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1343 132.053298950195 6451.77587890625 0.42 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1344 133.037292480469 317993.375 20.91 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1345 134.069046020508 18599.423828125 1.22 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1346 139.946014404297 3551.38818359375 0.23 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1347 160.047637939453 14908.2802734375 0.98 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1348 161.032012939453 5340.20654296875 0.35 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1349 178.058624267578 1521016.25 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1350 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1351 RECORD_TITLE: MZ:178.0573 | RT:45.4 | grpid:106 | file:1 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1352 MS$FOCUSED_ION: PRECURSOR_M/Z 178.057265428919 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1353 AC$CHROMATOGRAPHY: RETENTION_TIME 45.3966672 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1354 XCMS groupid (grpid): 106 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1355 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1356 PK$NUM_PEAK: 8 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1357 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1358 105.042701721191 18699.494140625 1.23 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1359 132.053298950195 6451.77587890625 0.42 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1360 133.037292480469 317993.375 20.91 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1361 134.069046020508 18599.423828125 1.22 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1362 139.946014404297 3551.38818359375 0.23 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1363 160.047637939453 14908.2802734375 0.98 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1364 161.032012939453 5340.20654296875 0.35 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1365 178.058624267578 1521016.25 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1366 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1367 RECORD_TITLE: MZ:178.0573 | RT:45.4 | grpid:106 | file:2 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1368 MS$FOCUSED_ION: PRECURSOR_M/Z 178.057265428919 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1369 AC$CHROMATOGRAPHY: RETENTION_TIME 45.3966672 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1370 XCMS groupid (grpid): 106 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1371 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1372 PK$NUM_PEAK: 8 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1373 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1374 105.042724609375 14917.9775390625 0.99 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1375 119.994201660156 3506.71118164062 0.23 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1376 133.037322998047 331483.9375 22.1 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1377 134.069076538086 17777.802734375 1.19 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1378 160.048583984375 23262.9453125 1.55 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1379 161.032791137695 5786.8955078125 0.39 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1380 178.058654785156 1500183.125 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1381 182.990447998047 3695.43188476562 0.25 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1382 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1383 RECORD_TITLE: MZ:178.0573 | RT:45.4 | grpid:106 | file:2 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1384 MS$FOCUSED_ION: PRECURSOR_M/Z 178.057265428919 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1385 AC$CHROMATOGRAPHY: RETENTION_TIME 45.3966672 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1386 XCMS groupid (grpid): 106 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1387 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1388 PK$NUM_PEAK: 8 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1389 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1390 105.042724609375 14917.9775390625 0.99 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1391 119.994201660156 3506.71118164062 0.23 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1392 133.037322998047 331483.9375 22.1 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1393 134.069076538086 17777.802734375 1.19 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1394 160.048583984375 23262.9453125 1.55 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1395 161.032791137695 5786.8955078125 0.39 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1396 178.058654785156 1500183.125 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1397 182.990447998047 3695.43188476562 0.25 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1398 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1399 RECORD_TITLE: MZ:182.081 | RT:70.5 | grpid:114 | file:1 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1400 MS$FOCUSED_ION: PRECURSOR_M/Z 182.080982868609 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1401 AC$CHROMATOGRAPHY: RETENTION_TIME 70.461672 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1402 XCMS groupid (grpid): 114 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1403 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1404 PK$NUM_PEAK: 12 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1405 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1406 103.054737091064 89136.0625 1.38 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1407 107.049491882324 74543.10546875 1.15 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1408 109.065074920654 71908.650390625 1.11 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1409 118.065311431885 85867.380859375 1.33 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1410 119.049350738525 2806263.375 43.36 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1411 121.064926147461 103105.48046875 1.59 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1412 123.044208526611 3910435.375 60.42 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1413 136.075576782227 6472187.5 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1414 137.059684753418 38162.0966796875 0.59 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1415 147.043930053711 1345759.5625 20.79 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1416 165.054565429688 2610728.125 40.34 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1417 182.081016540527 250897.15625 3.88 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1418 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1419 RECORD_TITLE: MZ:182.081 | RT:70.5 | grpid:114 | file:1 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1420 MS$FOCUSED_ION: PRECURSOR_M/Z 182.080982868609 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1421 AC$CHROMATOGRAPHY: RETENTION_TIME 70.461672 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1422 XCMS groupid (grpid): 114 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1423 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1424 PK$NUM_PEAK: 12 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1425 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1426 103.054737091064 89136.0625 1.38 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1427 107.049491882324 74543.10546875 1.15 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1428 109.065074920654 71908.650390625 1.11 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1429 118.065311431885 85867.380859375 1.33 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1430 119.049350738525 2806263.375 43.36 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1431 121.064926147461 103105.48046875 1.59 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1432 123.044208526611 3910435.375 60.42 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1433 136.075576782227 6472187.5 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1434 137.059684753418 38162.0966796875 0.59 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1435 147.043930053711 1345759.5625 20.79 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1436 165.054565429688 2610728.125 40.34 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1437 182.081016540527 250897.15625 3.88 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1438 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1439 RECORD_TITLE: MZ:182.081 | RT:70.5 | grpid:114 | file:2 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1440 MS$FOCUSED_ION: PRECURSOR_M/Z 182.080982868609 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1441 AC$CHROMATOGRAPHY: RETENTION_TIME 70.461672 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1442 XCMS groupid (grpid): 114 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1443 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1444 PK$NUM_PEAK: 12 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1445 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1446 103.054626464844 137720.703125 2.02 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1447 107.049423217773 96081.14453125 1.41 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1448 109.065078735352 102238.60546875 1.5 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1449 118.065242767334 114341.31640625 1.68 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1450 119.049385070801 2422319.75 35.56 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1451 121.064929962158 137223.59765625 2.01 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1452 123.044235229492 5523662.125 81.08 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1453 136.075714111328 6812675 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1454 137.059692382812 70678.93359375 1.04 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1455 147.043983459473 1979512.625 29.06 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1456 165.054588317871 3915205.25 57.47 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1457 182.081062316895 362055.0546875 5.31 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1458 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1459 RECORD_TITLE: MZ:182.081 | RT:70.5 | grpid:114 | file:2 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1460 MS$FOCUSED_ION: PRECURSOR_M/Z 182.080982868609 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1461 AC$CHROMATOGRAPHY: RETENTION_TIME 70.461672 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1462 XCMS groupid (grpid): 114 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1463 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1464 PK$NUM_PEAK: 12 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1465 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1466 103.054626464844 137720.703125 2.02 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1467 107.049423217773 96081.14453125 1.41 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1468 109.065078735352 102238.60546875 1.5 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1469 118.065242767334 114341.31640625 1.68 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1470 119.049385070801 2422319.75 35.56 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1471 121.064929962158 137223.59765625 2.01 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1472 123.044235229492 5523662.125 81.08 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1473 136.075714111328 6812675 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1474 137.059692382812 70678.93359375 1.04 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1475 147.043983459473 1979512.625 29.06 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1476 165.054588317871 3915205.25 57.47 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1477 182.081062316895 362055.0546875 5.31 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1478 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1479 RECORD_TITLE: MZ:189.1238 | RT:49.2 | grpid:127 | file:1 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1480 MS$FOCUSED_ION: PRECURSOR_M/Z 189.123836918215 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1481 AC$CHROMATOGRAPHY: RETENTION_TIME 49.182402 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1482 XCMS groupid (grpid): 127 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1483 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1484 PK$NUM_PEAK: 11 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1485 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1486 115.086784362793 8240.8359375 2.82 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1487 116.070785522461 66374.9765625 22.72 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1488 118.086532592773 292157.0625 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1489 130.086364746094 7183.04931640625 2.46 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1490 143.118041992188 74548.171875 25.52 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1491 144.112991333008 34779.625 11.9 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1492 158.09309387207 4647.126953125 1.59 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1493 172.108306884766 6683.4912109375 2.29 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1494 183.845306396484 3709.67822265625 1.27 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1495 189.123382568359 82376.6484375 28.2 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1496 189.135848999023 52375.484375 17.93 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1497 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1498 RECORD_TITLE: MZ:189.1238 | RT:49.2 | grpid:127 | file:1 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1499 MS$FOCUSED_ION: PRECURSOR_M/Z 189.123836918215 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1500 AC$CHROMATOGRAPHY: RETENTION_TIME 49.182402 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1501 XCMS groupid (grpid): 127 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1502 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1503 PK$NUM_PEAK: 11 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1504 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1505 115.086784362793 8240.8359375 2.82 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1506 116.070785522461 66374.9765625 22.72 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1507 118.086532592773 292157.0625 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1508 130.086364746094 7183.04931640625 2.46 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1509 143.118041992188 74548.171875 25.52 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1510 144.112991333008 34779.625 11.9 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1511 158.09309387207 4647.126953125 1.59 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1512 172.108306884766 6683.4912109375 2.29 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1513 183.845306396484 3709.67822265625 1.27 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1514 189.123382568359 82376.6484375 28.2 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1515 189.135848999023 52375.484375 17.93 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1516 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1517 RECORD_TITLE: MZ:189.1238 | RT:49.2 | grpid:127 | file:2 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1518 MS$FOCUSED_ION: PRECURSOR_M/Z 189.123836918215 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1519 AC$CHROMATOGRAPHY: RETENTION_TIME 49.182402 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1520 XCMS groupid (grpid): 127 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1521 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1522 PK$NUM_PEAK: 14 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1523 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1524 115.08699798584 16498.677734375 14.45 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1525 116.070922851562 114139.1640625 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1526 118.086608886719 16398.6328125 14.37 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1527 129.102462768555 14589.509765625 12.78 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1528 130.086517333984 25180.728515625 22.06 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1529 133.097732543945 11934.60546875 10.46 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1530 143.117904663086 10899.03515625 9.55 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1531 144.113189697266 43067.1015625 37.73 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1532 158.092788696289 16470.595703125 14.43 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1533 172.108413696289 12440.703125 10.9 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1534 189.122100830078 29789.7734375 26.1 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1535 189.136917114258 98533.8515625 86.33 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1536 189.159866333008 3757.07299804688 3.29 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1537 207.453216552734 2729.31713867188 2.39 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1538 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1539 RECORD_TITLE: MZ:189.1238 | RT:49.2 | grpid:127 | file:2 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1540 MS$FOCUSED_ION: PRECURSOR_M/Z 189.123836918215 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1541 AC$CHROMATOGRAPHY: RETENTION_TIME 49.182402 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1542 XCMS groupid (grpid): 127 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1543 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1544 PK$NUM_PEAK: 14 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1545 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1546 115.08699798584 16498.677734375 14.45 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1547 116.070922851562 114139.1640625 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1548 118.086608886719 16398.6328125 14.37 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1549 129.102462768555 14589.509765625 12.78 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1550 130.086517333984 25180.728515625 22.06 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1551 133.097732543945 11934.60546875 10.46 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1552 143.117904663086 10899.03515625 9.55 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1553 144.113189697266 43067.1015625 37.73 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1554 158.092788696289 16470.595703125 14.43 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1555 172.108413696289 12440.703125 10.9 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1556 189.122100830078 29789.7734375 26.1 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1557 189.136917114258 98533.8515625 86.33 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1558 189.159866333008 3757.07299804688 3.29 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1559 207.453216552734 2729.31713867188 2.39 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1560 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1561 RECORD_TITLE: MZ:191.0419 | RT:41.7 | grpid:131 | file:1 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1562 MS$FOCUSED_ION: PRECURSOR_M/Z 191.041908724489 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1563 AC$CHROMATOGRAPHY: RETENTION_TIME 41.6846646 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1564 XCMS groupid (grpid): 131 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1565 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1566 PK$NUM_PEAK: 11 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1567 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1568 102.055397033691 6061.30029296875 0.19 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1569 111.853385925293 4386.8701171875 0.14 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1570 115.874839782715 4441.072265625 0.14 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1571 116.986557006836 4422.6650390625 0.14 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1572 120.003273010254 7490.83056640625 0.23 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1573 120.065788269043 36437.609375 1.13 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1574 130.024032592773 6415.89990234375 0.2 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1575 133.80451965332 5088.212890625 0.16 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1576 173.029708862305 610622 18.98 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1577 191.040267944336 3217774.75 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1578 191.076446533203 999525 31.06 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1579 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1580 RECORD_TITLE: MZ:191.0419 | RT:41.7 | grpid:131 | file:1 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1581 MS$FOCUSED_ION: PRECURSOR_M/Z 191.041908724489 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1582 AC$CHROMATOGRAPHY: RETENTION_TIME 41.6846646 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1583 XCMS groupid (grpid): 131 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1584 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1585 PK$NUM_PEAK: 11 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1586 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1587 102.055397033691 6061.30029296875 0.19 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1588 111.853385925293 4386.8701171875 0.14 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1589 115.874839782715 4441.072265625 0.14 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1590 116.986557006836 4422.6650390625 0.14 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1591 120.003273010254 7490.83056640625 0.23 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1592 120.065788269043 36437.609375 1.13 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1593 130.024032592773 6415.89990234375 0.2 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1594 133.80451965332 5088.212890625 0.16 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1595 173.029708862305 610622 18.98 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1596 191.040267944336 3217774.75 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1597 191.076446533203 999525 31.06 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1598 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1599 RECORD_TITLE: MZ:192.07 | RT:121.8 | grpid:134 | file:2 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1600 MS$FOCUSED_ION: PRECURSOR_M/Z 192.070004316993 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1601 AC$CHROMATOGRAPHY: RETENTION_TIME 121.840812 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1602 XCMS groupid (grpid): 134 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1603 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1604 PK$NUM_PEAK: 9 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1605 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1606 102.055397033691 3442.68041992188 4.92 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1607 104.053359985352 70038.1953125 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1608 133.031921386719 29066.0625 41.5 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1609 144.065444946289 54286.5 77.51 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1610 146.063888549805 4671.99365234375 6.67 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1611 150.05842590332 24492.08984375 34.97 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1612 171.473907470703 2700.43920898438 3.86 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1613 181.562118530273 2402.322265625 3.43 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1614 193.007995605469 2239.99389648438 3.2 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1615 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1616 RECORD_TITLE: MZ:192.07 | RT:121.8 | grpid:134 | file:2 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1617 MS$FOCUSED_ION: PRECURSOR_M/Z 192.070004316993 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1618 AC$CHROMATOGRAPHY: RETENTION_TIME 121.840812 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1619 XCMS groupid (grpid): 134 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1620 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1621 PK$NUM_PEAK: 9 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1622 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1623 102.055397033691 3442.68041992188 4.92 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1624 104.053359985352 70038.1953125 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1625 133.031921386719 29066.0625 41.5 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1626 144.065444946289 54286.5 77.51 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1627 146.063888549805 4671.99365234375 6.67 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1628 150.05842590332 24492.08984375 34.97 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1629 171.473907470703 2700.43920898438 3.86 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1630 181.562118530273 2402.322265625 3.43 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1631 193.007995605469 2239.99389648438 3.2 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1632 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1633 RECORD_TITLE: MZ:194.034 | RT:45.4 | grpid:136 | file:1 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1634 MS$FOCUSED_ION: PRECURSOR_M/Z 194.033955868316 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1635 AC$CHROMATOGRAPHY: RETENTION_TIME 45.3966672 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1636 XCMS groupid (grpid): 136 |
|
fc9bb7e49a3a
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 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1638 PK$NUM_PEAK: 3 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1639 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1640 103.315864562988 2078.95581054688 54.54 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1641 158.081451416016 3618.328125 94.92 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1642 194.032531738281 3812.11279296875 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1643 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1644 RECORD_TITLE: MZ:194.034 | RT:45.4 | grpid:136 | file:1 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1645 MS$FOCUSED_ION: PRECURSOR_M/Z 194.033955868316 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1646 AC$CHROMATOGRAPHY: RETENTION_TIME 45.3966672 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1647 XCMS groupid (grpid): 136 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1648 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1649 PK$NUM_PEAK: 3 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1650 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1651 103.315864562988 2078.95581054688 54.54 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1652 158.081451416016 3618.328125 94.92 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1653 194.032531738281 3812.11279296875 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1654 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1655 RECORD_TITLE: MZ:194.034 | RT:45.4 | grpid:136 | file:2 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1656 MS$FOCUSED_ION: PRECURSOR_M/Z 194.033955868316 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1657 AC$CHROMATOGRAPHY: RETENTION_TIME 45.3966672 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1658 XCMS groupid (grpid): 136 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1659 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1660 PK$NUM_PEAK: 5 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1661 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1662 125.504974365234 2372.77172851562 68.39 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1663 141.887588500977 2384.751953125 68.73 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1664 146.027267456055 2972.51196289062 85.68 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1665 158.080490112305 2836.72119140625 81.76 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1666 194.032562255859 3469.51000976562 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1667 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1668 RECORD_TITLE: MZ:194.034 | RT:45.4 | grpid:136 | file:2 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1669 MS$FOCUSED_ION: PRECURSOR_M/Z 194.033955868316 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1670 AC$CHROMATOGRAPHY: RETENTION_TIME 45.3966672 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1671 XCMS groupid (grpid): 136 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1672 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1673 PK$NUM_PEAK: 5 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1674 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1675 125.504974365234 2372.77172851562 68.39 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1676 141.887588500977 2384.751953125 68.73 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1677 146.027267456055 2972.51196289062 85.68 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1678 158.080490112305 2836.72119140625 81.76 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1679 194.032562255859 3469.51000976562 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1680 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1681 RECORD_TITLE: MZ:200.039 | RT:43.9 | grpid:143 | file:1 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1682 MS$FOCUSED_ION: PRECURSOR_M/Z 200.039036175676 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1683 AC$CHROMATOGRAPHY: RETENTION_TIME 43.9150368 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1684 XCMS groupid (grpid): 143 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1685 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1686 PK$NUM_PEAK: 13 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1687 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1688 117.042617797852 6342.0810546875 0.31 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1689 117.987678527832 68211.828125 3.37 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1690 127.032531738281 20582.015625 1.02 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1691 132.053359985352 35976.1640625 1.77 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1692 140.995040893555 30093.7421875 1.48 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1693 142.598937988281 2839.74487304688 0.14 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1694 146.361755371094 2998.41796875 0.15 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1695 154.035003662109 13444.572265625 0.66 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1696 155.018844604492 3944.63305664062 0.19 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1697 182.029312133789 6210.8779296875 0.31 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1698 183.013916015625 4510.1396484375 0.22 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1699 200.040573120117 2027070.25 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1700 207.421112060547 3210.24487304688 0.16 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1701 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1702 RECORD_TITLE: MZ:200.039 | RT:43.9 | grpid:143 | file:1 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1703 MS$FOCUSED_ION: PRECURSOR_M/Z 200.039036175676 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1704 AC$CHROMATOGRAPHY: RETENTION_TIME 43.9150368 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1705 XCMS groupid (grpid): 143 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1706 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1707 PK$NUM_PEAK: 13 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1708 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1709 117.042617797852 6342.0810546875 0.31 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1710 117.987678527832 68211.828125 3.37 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1711 127.032531738281 20582.015625 1.02 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1712 132.053359985352 35976.1640625 1.77 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1713 140.995040893555 30093.7421875 1.48 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1714 142.598937988281 2839.74487304688 0.14 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1715 146.361755371094 2998.41796875 0.15 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1716 154.035003662109 13444.572265625 0.66 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1717 155.018844604492 3944.63305664062 0.19 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1718 182.029312133789 6210.8779296875 0.31 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1719 183.013916015625 4510.1396484375 0.22 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1720 200.040573120117 2027070.25 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1721 207.421112060547 3210.24487304688 0.16 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1722 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1723 RECORD_TITLE: MZ:200.039 | RT:43.9 | grpid:143 | file:2 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1724 MS$FOCUSED_ION: PRECURSOR_M/Z 200.039036175676 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1725 AC$CHROMATOGRAPHY: RETENTION_TIME 43.9150368 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1726 XCMS groupid (grpid): 143 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1727 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1728 PK$NUM_PEAK: 12 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1729 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1730 112.010238647461 2995.43188476562 0.14 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1731 117.042633056641 5056.5439453125 0.24 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1732 117.987663269043 71179.4375 3.38 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1733 123.095741271973 2928.32397460938 0.14 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1734 127.032501220703 4841.11767578125 0.23 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1735 132.053314208984 40222.88671875 1.91 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1736 140.045013427734 2847.90087890625 0.14 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1737 140.994918823242 43853.734375 2.08 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1738 154.035140991211 12319.0732421875 0.58 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1739 182.029663085938 4039.810546875 0.19 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1740 183.013336181641 3542.32104492188 0.17 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1741 200.040573120117 2105842.25 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1742 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1743 RECORD_TITLE: MZ:200.039 | RT:43.9 | grpid:143 | file:2 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1744 MS$FOCUSED_ION: PRECURSOR_M/Z 200.039036175676 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1745 AC$CHROMATOGRAPHY: RETENTION_TIME 43.9150368 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1746 XCMS groupid (grpid): 143 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1747 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1748 PK$NUM_PEAK: 12 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1749 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1750 112.010238647461 2995.43188476562 0.14 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1751 117.042633056641 5056.5439453125 0.24 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1752 117.987663269043 71179.4375 3.38 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1753 123.095741271973 2928.32397460938 0.14 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1754 127.032501220703 4841.11767578125 0.23 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1755 132.053314208984 40222.88671875 1.91 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1756 140.045013427734 2847.90087890625 0.14 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1757 140.994918823242 43853.734375 2.08 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1758 154.035140991211 12319.0732421875 0.58 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1759 182.029663085938 4039.810546875 0.19 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1760 183.013336181641 3542.32104492188 0.17 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1761 200.040573120117 2105842.25 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1762 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1763 RECORD_TITLE: MZ:203.139 | RT:72 | grpid:150 | file:1 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1764 MS$FOCUSED_ION: PRECURSOR_M/Z 203.139004267186 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1765 AC$CHROMATOGRAPHY: RETENTION_TIME 72.006432 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1766 XCMS groupid (grpid): 150 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1767 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1768 PK$NUM_PEAK: 18 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1769 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1770 116.071155548096 20653.5434570312 5.02 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1771 119.019195556641 2770.42236328125 0.67 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1772 125.07137298584 5385.11376953125 1.31 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1773 130.085556030273 6449.21875 1.57 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1774 132.101974487305 411630.5 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1775 138.387115478516 2774.31958007812 0.67 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1776 140.106964111328 22111.2734375 5.37 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1777 157.133964538574 51208.9997558594 12.44 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1778 158.128875732422 15111.2236328125 3.67 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1779 161.096771240234 6781.66259765625 1.65 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1780 170.445693969727 5899.7978515625 1.43 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1781 185.7109375 6658.5439453125 1.62 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1782 203.111068725586 10820.138671875 2.63 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1783 203.120208740234 7331.47412109375 1.78 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1784 203.138000488281 101691.2578125 24.7 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1785 203.139312744141 47779.91796875 11.61 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1786 203.152862548828 19752.5390625 4.8 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1787 204.817932128906 6029.38134765625 1.46 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1788 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1789 RECORD_TITLE: MZ:203.139 | RT:72 | grpid:150 | file:1 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1790 MS$FOCUSED_ION: PRECURSOR_M/Z 203.139004267186 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1791 AC$CHROMATOGRAPHY: RETENTION_TIME 72.006432 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1792 XCMS groupid (grpid): 150 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1793 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1794 PK$NUM_PEAK: 18 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1795 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1796 116.071155548096 20653.5434570312 5.02 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1797 119.019195556641 2770.42236328125 0.67 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1798 125.07137298584 5385.11376953125 1.31 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1799 130.085556030273 6449.21875 1.57 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1800 132.101974487305 411630.5 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1801 138.387115478516 2774.31958007812 0.67 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1802 140.106964111328 22111.2734375 5.37 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1803 157.133964538574 51208.9997558594 12.44 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1804 158.128875732422 15111.2236328125 3.67 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1805 161.096771240234 6781.66259765625 1.65 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1806 170.445693969727 5899.7978515625 1.43 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1807 185.7109375 6658.5439453125 1.62 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1808 203.111068725586 10820.138671875 2.63 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1809 203.120208740234 7331.47412109375 1.78 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1810 203.138000488281 101691.2578125 24.7 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1811 203.139312744141 47779.91796875 11.61 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1812 203.152862548828 19752.5390625 4.8 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1813 204.817932128906 6029.38134765625 1.46 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1814 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1815 RECORD_TITLE: MZ:203.139 | RT:72 | grpid:150 | file:2 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1816 MS$FOCUSED_ION: PRECURSOR_M/Z 203.139004267186 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1817 AC$CHROMATOGRAPHY: RETENTION_TIME 72.006432 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1818 XCMS groupid (grpid): 150 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1819 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1820 PK$NUM_PEAK: 5 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1821 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1822 116.07096862793 14099.0009765625 6.95 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1823 132.102005004883 202760.515625 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1824 157.133499145508 13804.431640625 6.81 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1825 161.095993041992 10988.53515625 5.42 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1826 203.152351379395 9337.64099121094 4.61 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1827 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1828 RECORD_TITLE: MZ:203.139 | RT:72 | grpid:150 | file:2 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1829 MS$FOCUSED_ION: PRECURSOR_M/Z 203.139004267186 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1830 AC$CHROMATOGRAPHY: RETENTION_TIME 72.006432 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1831 XCMS groupid (grpid): 150 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1832 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1833 PK$NUM_PEAK: 5 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1834 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1835 116.07096862793 14099.0009765625 6.95 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1836 132.102005004883 202760.515625 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1837 157.133499145508 13804.431640625 6.81 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1838 161.095993041992 10988.53515625 5.42 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1839 203.152351379395 9337.64099121094 4.61 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1840 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1841 RECORD_TITLE: MZ:204.1213 | RT:56.8 | grpid:152 | file:1 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1842 MS$FOCUSED_ION: PRECURSOR_M/Z 204.121345376641 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1843 AC$CHROMATOGRAPHY: RETENTION_TIME 56.7980382 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1844 XCMS groupid (grpid): 152 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1845 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1846 PK$NUM_PEAK: 10 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1847 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1848 103.039367675781 4378.82373046875 0.71 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1849 116.070835113525 52000.734375 8.43 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1850 117.074249267578 73425.046875 11.9 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1851 126.054992675781 54120.14453125 8.77 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1852 138.054794311523 57503.59765625 9.32 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1853 144.065551757812 16610.201171875 2.69 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1854 144.101837158203 81904.890625 13.28 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1855 145.049530029297 242301.34375 39.28 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1856 162.07600402832 4448.66784667969 0.72 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1857 204.122970581055 616905.6875 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1858 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1859 RECORD_TITLE: MZ:204.1213 | RT:56.8 | grpid:152 | file:1 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1860 MS$FOCUSED_ION: PRECURSOR_M/Z 204.121345376641 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1861 AC$CHROMATOGRAPHY: RETENTION_TIME 56.7980382 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1862 XCMS groupid (grpid): 152 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1863 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1864 PK$NUM_PEAK: 10 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1865 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1866 103.039367675781 4378.82373046875 0.71 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1867 116.070835113525 52000.734375 8.43 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1868 117.074249267578 73425.046875 11.9 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1869 126.054992675781 54120.14453125 8.77 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1870 138.054794311523 57503.59765625 9.32 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1871 144.065551757812 16610.201171875 2.69 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1872 144.101837158203 81904.890625 13.28 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1873 145.049530029297 242301.34375 39.28 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1874 162.07600402832 4448.66784667969 0.72 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1875 204.122970581055 616905.6875 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1876 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1877 RECORD_TITLE: MZ:204.1213 | RT:56.8 | grpid:152 | file:2 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1878 MS$FOCUSED_ION: PRECURSOR_M/Z 204.121345376641 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1879 AC$CHROMATOGRAPHY: RETENTION_TIME 56.7980382 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1880 XCMS groupid (grpid): 152 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1881 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1882 PK$NUM_PEAK: 24 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1883 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1884 101.024070739746 2549.65844726562 0.05 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1885 103.039604187012 44728.91015625 0.93 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1886 103.384941101074 28550.306640625 0.6 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1887 109.028610229492 9569.9111328125 0.2 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1888 110.023971557617 2709.85107421875 0.06 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1889 113.250282287598 26210.8046875 0.55 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1890 117.074279785156 42779.11328125 0.89 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1891 124.08716583252 16795.25390625 0.35 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1892 125.880447387695 2691.83837890625 0.06 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1893 126.055160522461 86498.7734375 1.8 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1894 127.039108276367 3200.34375 0.07 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1895 129.07829284668 98631.4765625 2.06 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1896 138.054977416992 177051.46875 3.69 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1897 144.065414428711 56831.3046875 1.19 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1898 144.090408325195 25124.802734375 0.52 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1899 144.101791381836 690809.51953125 14.41 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1900 145.037979125977 4413.583984375 0.09 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1901 145.04948425293 2107272.54296875 43.97 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1902 145.060363769531 5262.61083984375 0.11 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1903 168.065170288086 16167.7177734375 0.34 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1904 173.963897705078 26845.693359375 0.56 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1905 186.075775146484 5275.0185546875 0.11 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1906 186.56770324707 2513.05346679688 0.05 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1907 204.122985839844 4792410.6953125 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1908 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1909 RECORD_TITLE: MZ:204.1213 | RT:56.8 | grpid:152 | file:2 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1910 MS$FOCUSED_ION: PRECURSOR_M/Z 204.121345376641 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1911 AC$CHROMATOGRAPHY: RETENTION_TIME 56.7980382 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1912 XCMS groupid (grpid): 152 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1913 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1914 PK$NUM_PEAK: 24 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1915 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1916 101.024070739746 2549.65844726562 0.05 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1917 103.039604187012 44728.91015625 0.93 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1918 103.384941101074 28550.306640625 0.6 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1919 109.028610229492 9569.9111328125 0.2 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1920 110.023971557617 2709.85107421875 0.06 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1921 113.250282287598 26210.8046875 0.55 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1922 117.074279785156 42779.11328125 0.89 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1923 124.08716583252 16795.25390625 0.35 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1924 125.880447387695 2691.83837890625 0.06 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1925 126.055160522461 86498.7734375 1.8 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1926 127.039108276367 3200.34375 0.07 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1927 129.07829284668 98631.4765625 2.06 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1928 138.054977416992 177051.46875 3.69 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1929 144.065414428711 56831.3046875 1.19 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1930 144.090408325195 25124.802734375 0.52 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1931 144.101791381836 690809.51953125 14.41 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1932 145.037979125977 4413.583984375 0.09 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1933 145.04948425293 2107272.54296875 43.97 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1934 145.060363769531 5262.61083984375 0.11 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1935 168.065170288086 16167.7177734375 0.34 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1936 173.963897705078 26845.693359375 0.56 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1937 186.075775146484 5275.0185546875 0.11 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1938 186.56770324707 2513.05346679688 0.05 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1939 204.122985839844 4792410.6953125 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1940 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1941 RECORD_TITLE: MZ:207.016 | RT:41.8 | grpid:158 | file:2 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1942 MS$FOCUSED_ION: PRECURSOR_M/Z 207.015970241864 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1943 AC$CHROMATOGRAPHY: RETENTION_TIME 41.826645 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1944 XCMS groupid (grpid): 158 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1945 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1946 PK$NUM_PEAK: 19 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1947 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1948 102.055213928223 14664.9248046875 10.68 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1949 104.992233276367 2625.12451171875 1.91 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1950 120.00316619873 3167.53002929688 2.31 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1951 120.065727233887 39810.953125 28.98 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1952 125.714157104492 2278.95581054688 1.66 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1953 125.770439147949 2413.32568359375 1.76 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1954 130.049896240234 9405.2138671875 6.85 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1955 145.133407592773 2169.822265625 1.58 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1956 146.981994628906 18833.076171875 13.71 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1957 147.985076904297 12737.52734375 9.27 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1958 149.018768310547 3681.16088867188 2.68 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1959 169.94026184082 2372.8515625 1.73 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1960 177.024551391602 9060.5927734375 6.6 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1961 189.087188720703 11364.271484375 8.27 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1962 207.014282226562 137352.125 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1963 207.034118652344 5699.5263671875 4.15 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1964 207.052230834961 15843.6455078125 11.54 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1965 207.098617553711 2919.48852539062 2.13 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1966 207.174377441406 3961.92211914062 2.88 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1967 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1968 RECORD_TITLE: MZ:207.016 | RT:41.8 | grpid:158 | file:2 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1969 MS$FOCUSED_ION: PRECURSOR_M/Z 207.015970241864 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1970 AC$CHROMATOGRAPHY: RETENTION_TIME 41.826645 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1971 XCMS groupid (grpid): 158 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1972 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1973 PK$NUM_PEAK: 19 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1974 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1975 102.055213928223 14664.9248046875 10.68 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1976 104.992233276367 2625.12451171875 1.91 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1977 120.00316619873 3167.53002929688 2.31 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1978 120.065727233887 39810.953125 28.98 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1979 125.714157104492 2278.95581054688 1.66 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1980 125.770439147949 2413.32568359375 1.76 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1981 130.049896240234 9405.2138671875 6.85 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1982 145.133407592773 2169.822265625 1.58 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1983 146.981994628906 18833.076171875 13.71 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1984 147.985076904297 12737.52734375 9.27 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1985 149.018768310547 3681.16088867188 2.68 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1986 169.94026184082 2372.8515625 1.73 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1987 177.024551391602 9060.5927734375 6.6 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1988 189.087188720703 11364.271484375 8.27 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1989 207.014282226562 137352.125 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1990 207.034118652344 5699.5263671875 4.15 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1991 207.052230834961 15843.6455078125 11.54 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1992 207.098617553711 2919.48852539062 2.13 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1993 207.174377441406 3961.92211914062 2.88 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1994 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1995 RECORD_TITLE: MZ:214.0624 | RT:55.4 | grpid:172 | file:2 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1996 MS$FOCUSED_ION: PRECURSOR_M/Z 214.06240374159 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1997 AC$CHROMATOGRAPHY: RETENTION_TIME 55.4140188 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1998 XCMS groupid (grpid): 172 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1999 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2000 PK$NUM_PEAK: 14 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2001 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2002 100.022003173828 18210.814453125 0.48 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2003 112.021865844727 105520.359375 2.8 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2004 112.029098510742 4534.3564453125 0.12 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2005 127.032608032227 3771385.25 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2006 129.048873901367 9994.1298828125 0.26 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2007 137.094848632812 40517.13671875 1.07 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2008 139.032440185547 14027.0390625 0.37 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2009 141.000549316406 32761.166015625 0.87 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2010 141.048263549805 10484.16796875 0.28 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2011 158.02702331543 16497.7265625 0.44 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2012 170.074661254883 55442.0390625 1.47 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2013 197.064270019531 5371.8564453125 0.14 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2014 197.093124389648 3679.029296875 0.1 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2015 214.064468383789 307880.84375 8.16 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2016 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2017 RECORD_TITLE: MZ:214.0624 | RT:55.4 | grpid:172 | file:2 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2018 MS$FOCUSED_ION: PRECURSOR_M/Z 214.06240374159 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2019 AC$CHROMATOGRAPHY: RETENTION_TIME 55.4140188 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2020 XCMS groupid (grpid): 172 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2021 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2022 PK$NUM_PEAK: 14 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2023 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2024 100.022003173828 18210.814453125 0.48 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2025 112.021865844727 105520.359375 2.8 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2026 112.029098510742 4534.3564453125 0.12 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2027 127.032608032227 3771385.25 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2028 129.048873901367 9994.1298828125 0.26 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2029 137.094848632812 40517.13671875 1.07 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2030 139.032440185547 14027.0390625 0.37 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2031 141.000549316406 32761.166015625 0.87 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2032 141.048263549805 10484.16796875 0.28 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2033 158.02702331543 16497.7265625 0.44 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2034 170.074661254883 55442.0390625 1.47 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2035 197.064270019531 5371.8564453125 0.14 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2036 197.093124389648 3679.029296875 0.1 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2037 214.064468383789 307880.84375 8.16 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2038 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2039 RECORD_TITLE: MZ:218.1384 | RT:89.6 | grpid:180 | file:1 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2040 MS$FOCUSED_ION: PRECURSOR_M/Z 218.138404003909 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2041 AC$CHROMATOGRAPHY: RETENTION_TIME 89.6403 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2042 XCMS groupid (grpid): 180 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2043 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2044 PK$NUM_PEAK: 2 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2045 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2046 159.066215515137 3238.22875976562 37.5 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2047 218.138641357422 8636.0166015625 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2048 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2049 RECORD_TITLE: MZ:218.1384 | RT:89.6 | grpid:180 | file:1 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2050 MS$FOCUSED_ION: PRECURSOR_M/Z 218.138404003909 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2051 AC$CHROMATOGRAPHY: RETENTION_TIME 89.6403 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2052 XCMS groupid (grpid): 180 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2053 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2054 PK$NUM_PEAK: 2 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2055 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2056 159.066215515137 3238.22875976562 37.5 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2057 218.138641357422 8636.0166015625 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2058 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2059 RECORD_TITLE: MZ:218.1384 | RT:89.6 | grpid:180 | file:2 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2060 MS$FOCUSED_ION: PRECURSOR_M/Z 218.138404003909 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2061 AC$CHROMATOGRAPHY: RETENTION_TIME 89.6403 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2062 XCMS groupid (grpid): 180 |
|
fc9bb7e49a3a
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 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2064 PK$NUM_PEAK: 2 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2065 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2066 129.054916381836 3304.31335449219 22.97 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2067 218.138702392578 14387.341796875 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2068 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2069 RECORD_TITLE: MZ:218.1384 | RT:89.6 | grpid:180 | file:2 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2070 MS$FOCUSED_ION: PRECURSOR_M/Z 218.138404003909 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2071 AC$CHROMATOGRAPHY: RETENTION_TIME 89.6403 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2072 XCMS groupid (grpid): 180 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2073 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2074 PK$NUM_PEAK: 2 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2075 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2076 129.054916381836 3304.31335449219 22.97 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2077 218.138702392578 14387.341796875 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2078 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2079 RECORD_TITLE: MZ:219.1345 | RT:84.2 | grpid:182 | file:1 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2080 MS$FOCUSED_ION: PRECURSOR_M/Z 219.134537648256 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2081 AC$CHROMATOGRAPHY: RETENTION_TIME 84.215802 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2082 XCMS groupid (grpid): 182 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2083 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2084 PK$NUM_PEAK: 17 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2085 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2086 117.065925598145 4331.37890625 0.21 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2087 119.085418701172 4587.7412109375 0.23 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2088 121.101333618164 5698.80517578125 0.28 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2089 126.091384887695 16064.4111328125 0.79 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2090 128.107162475586 102154.1328125 5.05 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2091 132.101928710938 2022611.75 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2092 133.101196289062 5687.90185546875 0.28 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2093 155.117919921875 24920.931640625 1.23 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2094 161.132385253906 6279.27978515625 0.31 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2095 172.096343994141 31113.580078125 1.54 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2096 173.128372192383 895054.375 44.25 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2097 180.904510498047 3674.49365234375 0.18 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2098 201.123245239258 130626.78125 6.46 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2099 202.754135131836 3789.76586914062 0.19 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2100 203.142944335938 95550.71875 4.72 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2101 219.133941650391 199327.734375 9.85 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2102 219.174087524414 297299.6875 14.7 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2103 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2104 RECORD_TITLE: MZ:219.1345 | RT:84.2 | grpid:182 | file:1 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2105 MS$FOCUSED_ION: PRECURSOR_M/Z 219.134537648256 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2106 AC$CHROMATOGRAPHY: RETENTION_TIME 84.215802 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2107 XCMS groupid (grpid): 182 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2108 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2109 PK$NUM_PEAK: 17 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2110 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2111 117.065925598145 4331.37890625 0.21 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2112 119.085418701172 4587.7412109375 0.23 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2113 121.101333618164 5698.80517578125 0.28 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2114 126.091384887695 16064.4111328125 0.79 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2115 128.107162475586 102154.1328125 5.05 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2116 132.101928710938 2022611.75 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2117 133.101196289062 5687.90185546875 0.28 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2118 155.117919921875 24920.931640625 1.23 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2119 161.132385253906 6279.27978515625 0.31 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2120 172.096343994141 31113.580078125 1.54 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2121 173.128372192383 895054.375 44.25 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2122 180.904510498047 3674.49365234375 0.18 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2123 201.123245239258 130626.78125 6.46 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2124 202.754135131836 3789.76586914062 0.19 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2125 203.142944335938 95550.71875 4.72 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2126 219.133941650391 199327.734375 9.85 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2127 219.174087524414 297299.6875 14.7 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2128 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2129 RECORD_TITLE: MZ:219.1345 | RT:84.2 | grpid:182 | file:2 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2130 MS$FOCUSED_ION: PRECURSOR_M/Z 219.134537648256 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2131 AC$CHROMATOGRAPHY: RETENTION_TIME 84.215802 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2132 XCMS groupid (grpid): 182 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2133 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2134 PK$NUM_PEAK: 17 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2135 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2136 105.063270568848 4203.001953125 0.18 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2137 110.096893310547 4522.54443359375 0.19 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2138 112.11270904541 5338.60205078125 0.23 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2139 116.986259460449 5649.759765625 0.24 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2140 117.06591796875 4515.78662109375 0.19 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2141 126.091438293457 20249.6015625 0.86 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2142 128.107208251953 120659.59375 5.12 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2143 132.101974487305 2357033.25 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2144 133.10124206543 5141.18505859375 0.22 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2145 155.117614746094 24253.45703125 1.03 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2146 172.097229003906 28655.04296875 1.22 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2147 173.128463745117 1074516.375 45.59 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2148 201.123107910156 142628.015625 6.05 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2149 203.142913818359 105523.640625 4.48 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2150 219.134048461914 212437.609375 9.01 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2151 219.174209594727 327119.375 13.88 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2152 222.249847412109 3721.74389648438 0.16 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2153 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2154 RECORD_TITLE: MZ:219.1345 | RT:84.2 | grpid:182 | file:2 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2155 MS$FOCUSED_ION: PRECURSOR_M/Z 219.134537648256 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2156 AC$CHROMATOGRAPHY: RETENTION_TIME 84.215802 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2157 XCMS groupid (grpid): 182 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2158 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2159 PK$NUM_PEAK: 17 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2160 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2161 105.063270568848 4203.001953125 0.18 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2162 110.096893310547 4522.54443359375 0.19 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2163 112.11270904541 5338.60205078125 0.23 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2164 116.986259460449 5649.759765625 0.24 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2165 117.06591796875 4515.78662109375 0.19 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2166 126.091438293457 20249.6015625 0.86 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2167 128.107208251953 120659.59375 5.12 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2168 132.101974487305 2357033.25 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2169 133.10124206543 5141.18505859375 0.22 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2170 155.117614746094 24253.45703125 1.03 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2171 172.097229003906 28655.04296875 1.22 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2172 173.128463745117 1074516.375 45.59 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2173 201.123107910156 142628.015625 6.05 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2174 203.142913818359 105523.640625 4.48 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2175 219.134048461914 212437.609375 9.01 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2176 219.174209594727 327119.375 13.88 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2177 222.249847412109 3721.74389648438 0.16 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2178 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2179 RECORD_TITLE: MZ:227.1131 | RT:46.9 | grpid:199 | file:1 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2180 MS$FOCUSED_ION: PRECURSOR_M/Z 227.11306151597 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2181 AC$CHROMATOGRAPHY: RETENTION_TIME 46.926273 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2182 XCMS groupid (grpid): 199 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2183 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2184 PK$NUM_PEAK: 37 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2185 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2186 109.063865661621 3976.69848632812 0.09 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2187 110.071586608887 4306134.625 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2188 111.055419921875 13536.3588867188 0.31 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2189 112.087211608887 31349.716796875 0.73 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2190 114.961769104004 4038.513671875 0.09 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2191 116.070880889893 101813.242431641 2.36 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2192 120.884796142578 3409.80908203125 0.08 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2193 122.071449279785 621572.703125 14.43 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2194 124.086822509766 5438.34350585938 0.13 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2195 128.031753540039 50135.078125 1.16 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2196 134.071258544922 4929.89697265625 0.11 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2197 136.087051391602 30083.8427734375 0.7 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2198 138.06615447998 42256.64453125 0.98 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2199 146.071067810059 72860.27734375 1.69 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2200 148.086685180664 7030.39697265625 0.16 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2201 150.785430908203 5283.994140625 0.12 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2202 152.081825256348 210087.75 4.88 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2203 156.076751708984 1795464.875 41.7 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2204 159.049118041992 4586.6982421875 0.11 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2205 163.965179443359 4605.9501953125 0.11 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2206 164.081802368164 558786.484375 12.98 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2207 166.097290039062 5532.03466796875 0.13 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2208 180.076728820801 166122.7578125 3.86 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2209 181.1083984375 386895.203125 8.98 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2210 182.090789794922 6439.70166015625 0.15 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2211 185.092193603516 23619.828125 0.55 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2212 185.227569580078 5673.0751953125 0.13 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2213 192.076904296875 94410.91015625 2.19 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2214 198.087135314941 52485.2265625 1.22 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2215 198.869476318359 3270.02294921875 0.08 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2216 209.103057861328 75399.5703125 1.75 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2217 209.10546875 52783.671875 1.23 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2218 210.087188720703 759868.3125 17.65 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2219 224.923370361328 3780.64306640625 0.09 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2220 227.097503662109 23334.078125 0.54 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2221 227.113647460938 218042 5.06 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2222 227.117202758789 104483.0078125 2.43 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2223 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2224 RECORD_TITLE: MZ:227.1131 | RT:46.9 | grpid:199 | file:1 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2225 MS$FOCUSED_ION: PRECURSOR_M/Z 227.11306151597 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2226 AC$CHROMATOGRAPHY: RETENTION_TIME 46.926273 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2227 XCMS groupid (grpid): 199 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2228 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2229 PK$NUM_PEAK: 37 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2230 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2231 109.063865661621 3976.69848632812 0.09 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2232 110.071586608887 4306134.625 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2233 111.055419921875 13536.3588867188 0.31 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2234 112.087211608887 31349.716796875 0.73 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2235 114.961769104004 4038.513671875 0.09 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2236 116.070880889893 101813.242431641 2.36 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2237 120.884796142578 3409.80908203125 0.08 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2238 122.071449279785 621572.703125 14.43 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2239 124.086822509766 5438.34350585938 0.13 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2240 128.031753540039 50135.078125 1.16 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2241 134.071258544922 4929.89697265625 0.11 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2242 136.087051391602 30083.8427734375 0.7 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2243 138.06615447998 42256.64453125 0.98 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2244 146.071067810059 72860.27734375 1.69 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2245 148.086685180664 7030.39697265625 0.16 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2246 150.785430908203 5283.994140625 0.12 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2247 152.081825256348 210087.75 4.88 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2248 156.076751708984 1795464.875 41.7 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2249 159.049118041992 4586.6982421875 0.11 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2250 163.965179443359 4605.9501953125 0.11 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2251 164.081802368164 558786.484375 12.98 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2252 166.097290039062 5532.03466796875 0.13 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2253 180.076728820801 166122.7578125 3.86 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2254 181.1083984375 386895.203125 8.98 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2255 182.090789794922 6439.70166015625 0.15 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2256 185.092193603516 23619.828125 0.55 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2257 185.227569580078 5673.0751953125 0.13 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2258 192.076904296875 94410.91015625 2.19 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2259 198.087135314941 52485.2265625 1.22 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2260 198.869476318359 3270.02294921875 0.08 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2261 209.103057861328 75399.5703125 1.75 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2262 209.10546875 52783.671875 1.23 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2263 210.087188720703 759868.3125 17.65 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2264 224.923370361328 3780.64306640625 0.09 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2265 227.097503662109 23334.078125 0.54 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2266 227.113647460938 218042 5.06 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2267 227.117202758789 104483.0078125 2.43 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2268 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2269 RECORD_TITLE: MZ:227.1131 | RT:46.9 | grpid:199 | file:2 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2270 MS$FOCUSED_ION: PRECURSOR_M/Z 227.11306151597 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2271 AC$CHROMATOGRAPHY: RETENTION_TIME 46.926273 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2272 XCMS groupid (grpid): 199 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2273 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2274 PK$NUM_PEAK: 39 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2275 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2276 109.063323974609 4221.65771484375 0.09 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2277 110.071586608887 4907007.625 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2278 111.055290222168 20111.91796875 0.41 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2279 112.08727645874 31863.1630859375 0.65 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2280 116.062522888184 5434.8310546875 0.11 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2281 116.070919036865 115828.205078125 2.36 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2282 122.071472167969 714507.40625 14.56 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2283 124.086753845215 4588.31640625 0.09 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2284 128.032089233398 74231.078125 1.51 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2285 136.086883544922 42053.5888671875 0.86 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2286 138.06615447998 44104.2685546875 0.9 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2287 139.050079345703 7219.65087890625 0.15 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2288 139.05094909668 6357.27099609375 0.13 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2289 145.14469909668 3823.6279296875 0.08 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2290 146.07103729248 82355.41015625 1.68 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2291 147.054962158203 5208.69189453125 0.11 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2292 148.087280273438 6229.13134765625 0.13 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2293 152.081748962402 239232.28125 4.88 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2294 153.128067016602 3270.22680664062 0.07 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2295 154.060882568359 5990.9248046875 0.12 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2296 156.076759338379 2007945.6875 40.92 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2297 164.081802368164 633322.046875 12.91 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2298 164.141479492188 5804.94580078125 0.12 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2299 166.061492919922 7163.70751953125 0.15 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2300 166.096435546875 3583.4150390625 0.07 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2301 166.097686767578 10044.3232421875 0.2 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2302 178.063537597656 5560.33203125 0.11 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2303 180.076629638672 176944.71875 3.61 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2304 181.108428955078 455760.46875 9.29 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2305 182.092300415039 18926.6875 0.39 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2306 185.092254638672 33003.75390625 0.67 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2307 192.076805114746 116264.359375 2.37 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2308 198.086982727051 67567.3984375 1.38 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2309 198.102767944336 5951.31640625 0.12 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2310 209.103179931641 67038.6328125 1.37 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2311 209.104507446289 41406.42578125 0.84 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2312 210.087196350098 814492.96875 16.6 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2313 227.113571166992 237832.515625 4.85 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2314 227.117202758789 149649.421875 3.05 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2315 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2316 RECORD_TITLE: MZ:227.1131 | RT:46.9 | grpid:199 | file:2 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2317 MS$FOCUSED_ION: PRECURSOR_M/Z 227.11306151597 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2318 AC$CHROMATOGRAPHY: RETENTION_TIME 46.926273 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2319 XCMS groupid (grpid): 199 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2320 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2321 PK$NUM_PEAK: 39 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2322 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2323 109.063323974609 4221.65771484375 0.09 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2324 110.071586608887 4907007.625 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2325 111.055290222168 20111.91796875 0.41 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2326 112.08727645874 31863.1630859375 0.65 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2327 116.062522888184 5434.8310546875 0.11 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2328 116.070919036865 115828.205078125 2.36 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2329 122.071472167969 714507.40625 14.56 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2330 124.086753845215 4588.31640625 0.09 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2331 128.032089233398 74231.078125 1.51 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2332 136.086883544922 42053.5888671875 0.86 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2333 138.06615447998 44104.2685546875 0.9 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2334 139.050079345703 7219.65087890625 0.15 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2335 139.05094909668 6357.27099609375 0.13 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2336 145.14469909668 3823.6279296875 0.08 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2337 146.07103729248 82355.41015625 1.68 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2338 147.054962158203 5208.69189453125 0.11 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2339 148.087280273438 6229.13134765625 0.13 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2340 152.081748962402 239232.28125 4.88 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2341 153.128067016602 3270.22680664062 0.07 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2342 154.060882568359 5990.9248046875 0.12 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2343 156.076759338379 2007945.6875 40.92 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2344 164.081802368164 633322.046875 12.91 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2345 164.141479492188 5804.94580078125 0.12 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2346 166.061492919922 7163.70751953125 0.15 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2347 166.096435546875 3583.4150390625 0.07 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2348 166.097686767578 10044.3232421875 0.2 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2349 178.063537597656 5560.33203125 0.11 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2350 180.076629638672 176944.71875 3.61 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2351 181.108428955078 455760.46875 9.29 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2352 182.092300415039 18926.6875 0.39 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2353 185.092254638672 33003.75390625 0.67 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2354 192.076805114746 116264.359375 2.37 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2355 198.086982727051 67567.3984375 1.38 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2356 198.102767944336 5951.31640625 0.12 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2357 209.103179931641 67038.6328125 1.37 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2358 209.104507446289 41406.42578125 0.84 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2359 210.087196350098 814492.96875 16.6 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2360 227.113571166992 237832.515625 4.85 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2361 227.117202758789 149649.421875 3.05 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2362 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2363 RECORD_TITLE: MZ:229.1544 | RT:110.4 | grpid:205 | file:1 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2364 MS$FOCUSED_ION: PRECURSOR_M/Z 229.154447166191 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2365 AC$CHROMATOGRAPHY: RETENTION_TIME 110.36505 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2366 XCMS groupid (grpid): 205 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2367 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2368 PK$NUM_PEAK: 11 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2369 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2370 114.055233001709 73183.349609375 6.61 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2371 114.091724395752 26766.3896484375 2.42 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2372 116.070861816406 18596.2734375 1.68 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2373 118.086528778076 91277.423828125 8.24 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2374 124.07585144043 69204.625 6.25 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2375 126.091472625732 14020.0766601562 1.27 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2376 138.091316223145 16997.80859375 1.54 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2377 142.086227416992 600968.9375 54.28 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2378 170.081062316895 40555.919921875 3.66 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2379 183.112739562988 113964.578125 10.29 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2380 229.15461730957 1107156.0546875 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2381 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2382 RECORD_TITLE: MZ:229.1544 | RT:110.4 | grpid:205 | file:1 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2383 MS$FOCUSED_ION: PRECURSOR_M/Z 229.154447166191 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2384 AC$CHROMATOGRAPHY: RETENTION_TIME 110.36505 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2385 XCMS groupid (grpid): 205 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2386 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2387 PK$NUM_PEAK: 11 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2388 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2389 114.055233001709 73183.349609375 6.61 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2390 114.091724395752 26766.3896484375 2.42 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2391 116.070861816406 18596.2734375 1.68 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2392 118.086528778076 91277.423828125 8.24 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2393 124.07585144043 69204.625 6.25 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2394 126.091472625732 14020.0766601562 1.27 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2395 138.091316223145 16997.80859375 1.54 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2396 142.086227416992 600968.9375 54.28 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2397 170.081062316895 40555.919921875 3.66 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2398 183.112739562988 113964.578125 10.29 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2399 229.15461730957 1107156.0546875 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2400 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2401 RECORD_TITLE: MZ:229.1544 | RT:110.4 | grpid:205 | file:2 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2402 MS$FOCUSED_ION: PRECURSOR_M/Z 229.154447166191 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2403 AC$CHROMATOGRAPHY: RETENTION_TIME 110.36505 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2404 XCMS groupid (grpid): 205 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2405 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2406 PK$NUM_PEAK: 12 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2407 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2408 114.055229187012 60647.390625 5.08 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2409 114.091598510742 41155.61328125 3.45 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2410 116.07075881958 25772.126953125 2.16 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2411 118.08646774292 110920.234375 9.28 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2412 124.075756072998 114449.3984375 9.58 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2413 126.09156036377 17345.4731445312 1.45 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2414 138.091049194336 16867.7497558594 1.41 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2415 142.08625793457 654026.6875 54.75 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2416 155.118011474609 11454.3654785156 0.96 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2417 170.080909729004 44685.794921875 3.74 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2418 183.11270904541 141906.015625 11.88 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2419 229.154541015625 1194618.0703125 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2420 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2421 RECORD_TITLE: MZ:229.1544 | RT:110.4 | grpid:205 | file:2 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2422 MS$FOCUSED_ION: PRECURSOR_M/Z 229.154447166191 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2423 AC$CHROMATOGRAPHY: RETENTION_TIME 110.36505 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2424 XCMS groupid (grpid): 205 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2425 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2426 PK$NUM_PEAK: 12 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2427 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2428 114.055229187012 60647.390625 5.08 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2429 114.091598510742 41155.61328125 3.45 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2430 116.07075881958 25772.126953125 2.16 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2431 118.08646774292 110920.234375 9.28 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2432 124.075756072998 114449.3984375 9.58 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2433 126.09156036377 17345.4731445312 1.45 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2434 138.091049194336 16867.7497558594 1.41 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2435 142.08625793457 654026.6875 54.75 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2436 155.118011474609 11454.3654785156 0.96 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2437 170.080909729004 44685.794921875 3.74 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2438 183.11270904541 141906.015625 11.88 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2439 229.154541015625 1194618.0703125 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2440 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2441 RECORD_TITLE: MZ:230.1402 | RT:116.8 | grpid:206 | file:1 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2442 MS$FOCUSED_ION: PRECURSOR_M/Z 230.140207062093 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2443 AC$CHROMATOGRAPHY: RETENTION_TIME 116.806434 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2444 XCMS groupid (grpid): 206 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2445 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2446 PK$NUM_PEAK: 17 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2447 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2448 100.23999786377 2375.47680664062 3.67 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2449 134.948608398438 2629.12426757812 4.06 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2450 144.102401733398 5664.46728515625 8.75 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2451 155.723358154297 2731.0634765625 4.22 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2452 157.907409667969 2933.0439453125 4.53 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2453 166.047592163086 15541.818359375 24.02 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2454 170.705688476562 2597.7197265625 4.01 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2455 171.065200805664 47139.09375 72.85 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2456 175.505096435547 2865.88891601562 4.43 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2457 175.522003173828 2354.20971679688 3.64 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2458 184.334548950195 2978.513671875 4.6 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2459 224.660781860352 2611.29052734375 4.04 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2460 230.048034667969 3023.58984375 4.67 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2461 230.074829101562 3314.45288085938 5.12 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2462 230.138198852539 64708.8984375 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2463 230.157638549805 8235.0732421875 12.73 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2464 252.623626708984 2589.5390625 4 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2465 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2466 RECORD_TITLE: MZ:230.1402 | RT:116.8 | grpid:206 | file:1 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2467 MS$FOCUSED_ION: PRECURSOR_M/Z 230.140207062093 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2468 AC$CHROMATOGRAPHY: RETENTION_TIME 116.806434 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2469 XCMS groupid (grpid): 206 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2470 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2471 PK$NUM_PEAK: 17 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2472 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2473 100.23999786377 2375.47680664062 3.67 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2474 134.948608398438 2629.12426757812 4.06 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2475 144.102401733398 5664.46728515625 8.75 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2476 155.723358154297 2731.0634765625 4.22 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2477 157.907409667969 2933.0439453125 4.53 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2478 166.047592163086 15541.818359375 24.02 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2479 170.705688476562 2597.7197265625 4.01 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2480 171.065200805664 47139.09375 72.85 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2481 175.505096435547 2865.88891601562 4.43 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2482 175.522003173828 2354.20971679688 3.64 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2483 184.334548950195 2978.513671875 4.6 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2484 224.660781860352 2611.29052734375 4.04 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2485 230.048034667969 3023.58984375 4.67 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2486 230.074829101562 3314.45288085938 5.12 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2487 230.138198852539 64708.8984375 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2488 230.157638549805 8235.0732421875 12.73 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2489 252.623626708984 2589.5390625 4 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2490 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2491 RECORD_TITLE: MZ:230.1402 | RT:116.8 | grpid:206 | file:2 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2492 MS$FOCUSED_ION: PRECURSOR_M/Z 230.140207062093 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2493 AC$CHROMATOGRAPHY: RETENTION_TIME 116.806434 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2494 XCMS groupid (grpid): 206 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2495 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2496 PK$NUM_PEAK: 16 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2497 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2498 103.442092895508 2566.20703125 3.91 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2499 118.637107849121 2638.11669921875 4.02 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2500 133.330627441406 2652.22534179688 4.05 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2501 139.023971557617 2837.33520507812 4.33 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2502 144.102294921875 13455.767578125 20.53 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2503 154.53678894043 2769.9482421875 4.23 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2504 166.047912597656 9638.998046875 14.7 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2505 167.984619140625 2446.177734375 3.73 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2506 170.596984863281 2782.6201171875 4.24 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2507 171.064888000488 53719.361328125 81.95 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2508 198.879165649414 3006.13061523438 4.59 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2509 199.904586791992 2728.13745117188 4.16 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2510 204.917419433594 2715.51708984375 4.14 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2511 230.046417236328 4664.95068359375 7.12 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2512 230.138244628906 65551.83984375 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2513 230.155090332031 8631.9453125 13.17 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2514 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2515 RECORD_TITLE: MZ:230.1402 | RT:116.8 | grpid:206 | file:2 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2516 MS$FOCUSED_ION: PRECURSOR_M/Z 230.140207062093 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2517 AC$CHROMATOGRAPHY: RETENTION_TIME 116.806434 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2518 XCMS groupid (grpid): 206 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2519 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2520 PK$NUM_PEAK: 16 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2521 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2522 103.442092895508 2566.20703125 3.91 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2523 118.637107849121 2638.11669921875 4.02 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2524 133.330627441406 2652.22534179688 4.05 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2525 139.023971557617 2837.33520507812 4.33 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2526 144.102294921875 13455.767578125 20.53 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2527 154.53678894043 2769.9482421875 4.23 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2528 166.047912597656 9638.998046875 14.7 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2529 167.984619140625 2446.177734375 3.73 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2530 170.596984863281 2782.6201171875 4.24 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2531 171.064888000488 53719.361328125 81.95 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2532 198.879165649414 3006.13061523438 4.59 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2533 199.904586791992 2728.13745117188 4.16 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2534 204.917419433594 2715.51708984375 4.14 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2535 230.046417236328 4664.95068359375 7.12 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2536 230.138244628906 65551.83984375 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2537 230.155090332031 8631.9453125 13.17 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2538 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2539 RECORD_TITLE: MZ:231.1694 | RT:130.8 | grpid:209 | file:1 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2540 MS$FOCUSED_ION: PRECURSOR_M/Z 231.169440223829 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2541 AC$CHROMATOGRAPHY: RETENTION_TIME 130.794318 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2542 XCMS groupid (grpid): 209 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2543 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2544 PK$NUM_PEAK: 7 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2545 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2546 111.466903686523 3197.19702148438 13.95 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2547 116.07112121582 3271.9736328125 14.27 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2548 118.086364746094 22924.626953125 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2549 132.357925415039 2541.77392578125 11.09 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2550 179.655456542969 2593.84716796875 11.31 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2551 185.16487121582 4451.75 19.42 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2552 231.170959472656 13349.1865234375 58.23 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2553 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2554 RECORD_TITLE: MZ:231.1694 | RT:130.8 | grpid:209 | file:1 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2555 MS$FOCUSED_ION: PRECURSOR_M/Z 231.169440223829 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2556 AC$CHROMATOGRAPHY: RETENTION_TIME 130.794318 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2557 XCMS groupid (grpid): 209 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2558 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2559 PK$NUM_PEAK: 7 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2560 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2561 111.466903686523 3197.19702148438 13.95 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2562 116.07112121582 3271.9736328125 14.27 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2563 118.086364746094 22924.626953125 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2564 132.357925415039 2541.77392578125 11.09 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2565 179.655456542969 2593.84716796875 11.31 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2566 185.16487121582 4451.75 19.42 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2567 231.170959472656 13349.1865234375 58.23 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2568 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2569 RECORD_TITLE: MZ:231.1694 | RT:130.8 | grpid:209 | file:2 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2570 MS$FOCUSED_ION: PRECURSOR_M/Z 231.169440223829 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2571 AC$CHROMATOGRAPHY: RETENTION_TIME 130.794318 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2572 XCMS groupid (grpid): 209 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2573 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2574 PK$NUM_PEAK: 6 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2575 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2576 116.427024841309 2544.30590820312 8.85 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2577 118.086326599121 28757.314453125 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2578 134.190277099609 2779.22607421875 9.66 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2579 185.16487121582 11899.6162109375 41.38 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2580 231.170867919922 12690.720703125 44.13 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2581 242.216293334961 3109.39599609375 10.81 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2582 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2583 RECORD_TITLE: MZ:231.1694 | RT:130.8 | grpid:209 | file:2 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2584 MS$FOCUSED_ION: PRECURSOR_M/Z 231.169440223829 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2585 AC$CHROMATOGRAPHY: RETENTION_TIME 130.794318 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2586 XCMS groupid (grpid): 209 |
|
fc9bb7e49a3a
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 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2588 PK$NUM_PEAK: 6 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2589 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2590 116.427024841309 2544.30590820312 8.85 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2591 118.086326599121 28757.314453125 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2592 134.190277099609 2779.22607421875 9.66 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2593 185.16487121582 11899.6162109375 41.38 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2594 231.170867919922 12690.720703125 44.13 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2595 242.216293334961 3109.39599609375 10.81 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2596 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2597 RECORD_TITLE: MZ:233.1492 | RT:66.7 | grpid:214 | file:1 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2598 MS$FOCUSED_ION: PRECURSOR_M/Z 233.149205713464 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2599 AC$CHROMATOGRAPHY: RETENTION_TIME 66.710418 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2600 XCMS groupid (grpid): 214 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2601 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2602 PK$NUM_PEAK: 10 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2603 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2604 101.071445465088 51549.6220703125 22.16 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2605 102.055347442627 66484.62109375 28.58 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2606 120.065692901611 232610.4609375 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2607 130.049911499023 48948.583984375 21.04 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2608 132.102035522461 32436.919921875 13.94 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2609 142.122718811035 30997.4084472656 13.33 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2610 152.106994628906 4649.77038574219 2 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2611 187.144264221191 187231.80078125 80.49 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2612 215.139007568359 48739.20703125 20.95 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2613 233.149719238281 36277.1650390625 15.6 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2614 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2615 RECORD_TITLE: MZ:233.1492 | RT:66.7 | grpid:214 | file:1 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2616 MS$FOCUSED_ION: PRECURSOR_M/Z 233.149205713464 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2617 AC$CHROMATOGRAPHY: RETENTION_TIME 66.710418 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2618 XCMS groupid (grpid): 214 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2619 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2620 PK$NUM_PEAK: 10 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2621 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2622 101.071445465088 51549.6220703125 22.16 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2623 102.055347442627 66484.62109375 28.58 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2624 120.065692901611 232610.4609375 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2625 130.049911499023 48948.583984375 21.04 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2626 132.102035522461 32436.919921875 13.94 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2627 142.122718811035 30997.4084472656 13.33 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2628 152.106994628906 4649.77038574219 2 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2629 187.144264221191 187231.80078125 80.49 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2630 215.139007568359 48739.20703125 20.95 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2631 233.149719238281 36277.1650390625 15.6 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2632 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2633 RECORD_TITLE: MZ:233.1492 | RT:66.7 | grpid:214 | file:2 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2634 MS$FOCUSED_ION: PRECURSOR_M/Z 233.149205713464 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2635 AC$CHROMATOGRAPHY: RETENTION_TIME 66.710418 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2636 XCMS groupid (grpid): 214 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2637 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2638 PK$NUM_PEAK: 8 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2639 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2640 102.055397033691 51696.87890625 22.8 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2641 120.065738677979 226702.9609375 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2642 130.049781799316 45556.30859375 20.1 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2643 132.101943969727 27032.3515625 11.92 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2644 142.122772216797 8058.5205078125 3.55 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2645 187.14395904541 12489.4829101562 5.51 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2646 215.139099121094 40721.81640625 17.96 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2647 233.149711608887 37191.212890625 16.41 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2648 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2649 RECORD_TITLE: MZ:233.1492 | RT:66.7 | grpid:214 | file:2 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2650 MS$FOCUSED_ION: PRECURSOR_M/Z 233.149205713464 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2651 AC$CHROMATOGRAPHY: RETENTION_TIME 66.710418 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2652 XCMS groupid (grpid): 214 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2653 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2654 PK$NUM_PEAK: 8 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2655 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2656 102.055397033691 51696.87890625 22.8 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2657 120.065738677979 226702.9609375 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2658 130.049781799316 45556.30859375 20.1 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2659 132.101943969727 27032.3515625 11.92 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2660 142.122772216797 8058.5205078125 3.55 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2661 187.14395904541 12489.4829101562 5.51 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2662 215.139099121094 40721.81640625 17.96 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2663 233.149711608887 37191.212890625 16.41 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2664 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2665 RECORD_TITLE: MZ:244.9534 | RT:41 | grpid:234 | file:1 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2666 MS$FOCUSED_ION: PRECURSOR_M/Z 244.953385254716 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2667 AC$CHROMATOGRAPHY: RETENTION_TIME 40.9547952 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2668 XCMS groupid (grpid): 234 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2669 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2670 PK$NUM_PEAK: 10 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2671 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2672 104.992713928223 340494.65625 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2673 134.018981933594 6148.11669921875 1.81 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2674 162.950485229492 3323.24096679688 0.98 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2675 164.879348754883 2862.37036132812 0.84 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2676 171.35090637207 2969.00439453125 0.87 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2677 186.895538330078 3287.81958007812 0.97 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2678 186.911956787109 77847.96875 22.86 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2679 186.995681762695 4629.24658203125 1.36 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2680 204.922775268555 61411.63671875 18.04 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2681 216.667694091797 2451.92456054688 0.72 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2682 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2683 RECORD_TITLE: MZ:244.9534 | RT:41 | grpid:234 | file:1 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2684 MS$FOCUSED_ION: PRECURSOR_M/Z 244.953385254716 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2685 AC$CHROMATOGRAPHY: RETENTION_TIME 40.9547952 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2686 XCMS groupid (grpid): 234 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2687 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2688 PK$NUM_PEAK: 10 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2689 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2690 104.992713928223 340494.65625 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2691 134.018981933594 6148.11669921875 1.81 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2692 162.950485229492 3323.24096679688 0.98 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2693 164.879348754883 2862.37036132812 0.84 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2694 171.35090637207 2969.00439453125 0.87 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2695 186.895538330078 3287.81958007812 0.97 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2696 186.911956787109 77847.96875 22.86 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2697 186.995681762695 4629.24658203125 1.36 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2698 204.922775268555 61411.63671875 18.04 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2699 216.667694091797 2451.92456054688 0.72 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2700 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2701 RECORD_TITLE: MZ:244.9534 | RT:41 | grpid:234 | file:2 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2702 MS$FOCUSED_ION: PRECURSOR_M/Z 244.953385254716 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2703 AC$CHROMATOGRAPHY: RETENTION_TIME 40.9547952 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2704 XCMS groupid (grpid): 234 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2705 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2706 PK$NUM_PEAK: 9 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2707 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2708 104.992698669434 416298.96875 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2709 104.999923706055 7185.41552734375 1.73 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2710 134.019241333008 22449.341796875 5.39 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2711 146.019165039062 4753.09130859375 1.14 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2712 162.95100402832 3315.03491210938 0.8 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2713 183.394256591797 2706.86157226562 0.65 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2714 186.912048339844 68123.859375 16.36 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2715 186.99592590332 4615.99462890625 1.11 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2716 204.922622680664 49536.19921875 11.9 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2717 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2718 RECORD_TITLE: MZ:244.9534 | RT:41 | grpid:234 | file:2 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2719 MS$FOCUSED_ION: PRECURSOR_M/Z 244.953385254716 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2720 AC$CHROMATOGRAPHY: RETENTION_TIME 40.9547952 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2721 XCMS groupid (grpid): 234 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2722 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2723 PK$NUM_PEAK: 9 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2724 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2725 104.992698669434 416298.96875 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2726 104.999923706055 7185.41552734375 1.73 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2727 134.019241333008 22449.341796875 5.39 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2728 146.019165039062 4753.09130859375 1.14 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2729 162.95100402832 3315.03491210938 0.8 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2730 183.394256591797 2706.86157226562 0.65 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2731 186.912048339844 68123.859375 16.36 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2732 186.99592590332 4615.99462890625 1.11 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2733 204.922622680664 49536.19921875 11.9 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2734 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2735 RECORD_TITLE: MZ:245.0766 | RT:83.4 | grpid:235 | file:1 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2736 MS$FOCUSED_ION: PRECURSOR_M/Z 245.07657810262 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2737 AC$CHROMATOGRAPHY: RETENTION_TIME 83.441172 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2738 XCMS groupid (grpid): 235 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2739 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2740 PK$NUM_PEAK: 8 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2741 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2742 102.847290039062 7233.47998046875 0.33 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2743 103.039291381836 12718.3603515625 0.58 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2744 113.034873962402 2177657.75 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2745 115.039009094238 51866.30859375 2.38 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2746 127.821929931641 6439.4697265625 0.3 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2747 133.049758911133 79959.2890625 3.67 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2748 183.691345214844 6732.88623046875 0.31 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2749 245.160766601562 16266.2109375 0.75 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2750 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2751 RECORD_TITLE: MZ:245.0766 | RT:83.4 | grpid:235 | file:1 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2752 MS$FOCUSED_ION: PRECURSOR_M/Z 245.07657810262 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2753 AC$CHROMATOGRAPHY: RETENTION_TIME 83.441172 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2754 XCMS groupid (grpid): 235 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2755 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2756 PK$NUM_PEAK: 8 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2757 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2758 102.847290039062 7233.47998046875 0.33 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2759 103.039291381836 12718.3603515625 0.58 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2760 113.034873962402 2177657.75 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2761 115.039009094238 51866.30859375 2.38 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2762 127.821929931641 6439.4697265625 0.3 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2763 133.049758911133 79959.2890625 3.67 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2764 183.691345214844 6732.88623046875 0.31 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2765 245.160766601562 16266.2109375 0.75 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2766 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2767 RECORD_TITLE: MZ:245.0766 | RT:83.4 | grpid:235 | file:2 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2768 MS$FOCUSED_ION: PRECURSOR_M/Z 245.07657810262 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2769 AC$CHROMATOGRAPHY: RETENTION_TIME 83.441172 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2770 XCMS groupid (grpid): 235 |
|
fc9bb7e49a3a
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 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2772 PK$NUM_PEAK: 9 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2773 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2774 103.039436340332 8101.8408203125 0.42 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2775 113.034912109375 1941275.5 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2776 115.039443969727 48567.2734375 2.5 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2777 133.049758911133 52039.21875 2.68 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2778 137.333404541016 5343.7626953125 0.28 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2779 149.172576904297 5415.865234375 0.28 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2780 158.082015991211 5685.69775390625 0.29 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2781 245.160354614258 20578.3828125 1.06 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2782 269.657653808594 5373.13623046875 0.28 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2783 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2784 RECORD_TITLE: MZ:245.0766 | RT:83.4 | grpid:235 | file:2 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2785 MS$FOCUSED_ION: PRECURSOR_M/Z 245.07657810262 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2786 AC$CHROMATOGRAPHY: RETENTION_TIME 83.441172 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2787 XCMS groupid (grpid): 235 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2788 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2789 PK$NUM_PEAK: 9 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2790 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2791 103.039436340332 8101.8408203125 0.42 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2792 113.034912109375 1941275.5 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2793 115.039443969727 48567.2734375 2.5 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2794 133.049758911133 52039.21875 2.68 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2795 137.333404541016 5343.7626953125 0.28 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2796 149.172576904297 5415.865234375 0.28 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2797 158.082015991211 5685.69775390625 0.29 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2798 245.160354614258 20578.3828125 1.06 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2799 269.657653808594 5373.13623046875 0.28 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2800 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2801 RECORD_TITLE: MZ:246.1449 | RT:56 | grpid:238 | file:1 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2802 MS$FOCUSED_ION: PRECURSOR_M/Z 246.144917517526 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2803 AC$CHROMATOGRAPHY: RETENTION_TIME 56.048412 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2804 XCMS groupid (grpid): 238 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2805 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2806 PK$NUM_PEAK: 39 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2807 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2808 100.075866699219 14307.3046875 1.48 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2809 101.071304321289 77612.53125 8.03 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2810 101.107765197754 13628.1044921875 1.41 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2811 102.055305480957 13994.3603515625 1.45 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2812 111.054954528809 3121.79370117188 0.32 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2813 112.087295532227 36104.33984375 3.74 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2814 116.070602416992 5924.2724609375 0.61 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2815 117.102523803711 32440.0546875 3.36 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2816 118.086433410645 58407.17578125 6.04 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2817 129.102493286133 109578.2734375 11.34 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2818 129.113220214844 14699.2412109375 1.52 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2819 130.049942016602 930876.8125 96.3 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2820 130.086334228516 158307.53125 16.38 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2821 137.720031738281 2940.19921875 0.3 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2822 138.091659545898 2857.93823242188 0.3 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2823 138.102661132812 12444.765625 1.29 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2824 147.076354980469 966629.375 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2825 147.112716674805 187215.6875 19.37 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2826 158.09211730957 3689.1044921875 0.38 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2827 162.474563598633 2948.10424804688 0.3 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2828 171.075454711914 5850.251953125 0.61 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2829 172.887664794922 3349.94604492188 0.35 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2830 173.957077026367 3202.59350585938 0.33 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2831 175.118850708008 4633.72509765625 0.48 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2832 175.700073242188 2696.47802734375 0.28 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2833 182.128219604492 12645.0830078125 1.31 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2834 183.112380981445 35901.765625 3.71 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2835 184.344192504883 2776.12524414062 0.29 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2836 194.080612182617 4284.95703125 0.44 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2837 196.987716674805 2927.38989257812 0.3 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2838 200.047790527344 22924.576171875 2.37 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2839 211.107360839844 5091.181640625 0.53 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2840 228.134506225586 30204.845703125 3.12 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2841 228.170013427734 5492.08544921875 0.57 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2842 229.117797851562 21251.548828125 2.2 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2843 229.153762817383 7065.13134765625 0.73 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2844 246.055068969727 24465.38671875 2.53 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2845 246.142868041992 33020.84375 3.42 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2846 246.180923461914 44765.84375 4.63 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2847 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2848 RECORD_TITLE: MZ:246.1449 | RT:56 | grpid:238 | file:1 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2849 MS$FOCUSED_ION: PRECURSOR_M/Z 246.144917517526 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2850 AC$CHROMATOGRAPHY: RETENTION_TIME 56.048412 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2851 XCMS groupid (grpid): 238 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2852 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2853 PK$NUM_PEAK: 39 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2854 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2855 100.075866699219 14307.3046875 1.48 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2856 101.071304321289 77612.53125 8.03 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2857 101.107765197754 13628.1044921875 1.41 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2858 102.055305480957 13994.3603515625 1.45 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2859 111.054954528809 3121.79370117188 0.32 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2860 112.087295532227 36104.33984375 3.74 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2861 116.070602416992 5924.2724609375 0.61 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2862 117.102523803711 32440.0546875 3.36 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2863 118.086433410645 58407.17578125 6.04 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2864 129.102493286133 109578.2734375 11.34 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2865 129.113220214844 14699.2412109375 1.52 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2866 130.049942016602 930876.8125 96.3 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2867 130.086334228516 158307.53125 16.38 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2868 137.720031738281 2940.19921875 0.3 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2869 138.091659545898 2857.93823242188 0.3 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2870 138.102661132812 12444.765625 1.29 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2871 147.076354980469 966629.375 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2872 147.112716674805 187215.6875 19.37 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2873 158.09211730957 3689.1044921875 0.38 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2874 162.474563598633 2948.10424804688 0.3 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2875 171.075454711914 5850.251953125 0.61 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2876 172.887664794922 3349.94604492188 0.35 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2877 173.957077026367 3202.59350585938 0.33 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2878 175.118850708008 4633.72509765625 0.48 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2879 175.700073242188 2696.47802734375 0.28 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2880 182.128219604492 12645.0830078125 1.31 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2881 183.112380981445 35901.765625 3.71 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2882 184.344192504883 2776.12524414062 0.29 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2883 194.080612182617 4284.95703125 0.44 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2884 196.987716674805 2927.38989257812 0.3 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2885 200.047790527344 22924.576171875 2.37 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2886 211.107360839844 5091.181640625 0.53 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2887 228.134506225586 30204.845703125 3.12 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2888 228.170013427734 5492.08544921875 0.57 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2889 229.117797851562 21251.548828125 2.2 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2890 229.153762817383 7065.13134765625 0.73 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2891 246.055068969727 24465.38671875 2.53 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2892 246.142868041992 33020.84375 3.42 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2893 246.180923461914 44765.84375 4.63 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2894 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2895 RECORD_TITLE: MZ:246.1449 | RT:56 | grpid:238 | file:2 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2896 MS$FOCUSED_ION: PRECURSOR_M/Z 246.144917517526 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2897 AC$CHROMATOGRAPHY: RETENTION_TIME 56.048412 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2898 XCMS groupid (grpid): 238 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2899 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2900 PK$NUM_PEAK: 40 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2901 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2902 100.076126098633 13507.232421875 1.34 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2903 101.071449279785 79448.5546875 7.91 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2904 101.10791015625 12414.9365234375 1.24 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2905 102.055488586426 7000.93603515625 0.7 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2906 105.111312866211 3550.4013671875 0.35 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2907 111.055686950684 4715.681640625 0.47 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2908 112.087326049805 31429.337890625 3.13 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2909 116.071029663086 5825.57421875 0.58 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2910 117.074378967285 4742.4384765625 0.47 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2911 117.10237121582 36997.4921875 3.68 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2912 118.086387634277 61979.0078125 6.17 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2913 127.533218383789 3126.70092773438 0.31 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2914 129.102493286133 119557.765625 11.9 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2915 129.113388061523 17992.248046875 1.79 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2916 130.049987792969 894460.25 89 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2917 130.086349487305 163269.09375 16.25 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2918 130.096298217773 5541.70068359375 0.55 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2919 138.091659545898 4977.36181640625 0.5 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2920 138.102569580078 10837.1796875 1.08 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2921 144.558670043945 3019.34936523438 0.3 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2922 147.076416015625 1005005 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2923 147.112762451172 190010.625 18.91 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2924 156.300552368164 3563.12890625 0.35 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2925 158.09245300293 3216.63720703125 0.32 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2926 171.076248168945 3413.69702148438 0.34 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2927 177.550689697266 3003.36254882812 0.3 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2928 183.11262512207 28672.052734375 2.85 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2929 190.794464111328 3111.716796875 0.31 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2930 194.081283569336 3054.80810546875 0.3 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2931 200.048919677734 17289.095703125 1.72 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2932 211.143585205078 4624.5439453125 0.46 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2933 214.018432617188 2903.59130859375 0.29 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2934 228.133575439453 33692.7421875 3.35 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2935 229.118698120117 35895.65234375 3.57 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2936 229.154357910156 6166.2578125 0.61 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2937 246.05500793457 10908.7216796875 1.09 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2938 246.14274597168 40747.77734375 4.05 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2939 246.180313110352 44600.65625 4.44 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2940 246.202621459961 5074.580078125 0.5 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2941 262.875 3137.12841796875 0.31 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2942 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2943 RECORD_TITLE: MZ:246.1449 | RT:56 | grpid:238 | file:2 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2944 MS$FOCUSED_ION: PRECURSOR_M/Z 246.144917517526 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2945 AC$CHROMATOGRAPHY: RETENTION_TIME 56.048412 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2946 XCMS groupid (grpid): 238 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2947 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2948 PK$NUM_PEAK: 40 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2949 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2950 100.076126098633 13507.232421875 1.34 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2951 101.071449279785 79448.5546875 7.91 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2952 101.10791015625 12414.9365234375 1.24 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2953 102.055488586426 7000.93603515625 0.7 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2954 105.111312866211 3550.4013671875 0.35 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2955 111.055686950684 4715.681640625 0.47 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2956 112.087326049805 31429.337890625 3.13 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2957 116.071029663086 5825.57421875 0.58 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2958 117.074378967285 4742.4384765625 0.47 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2959 117.10237121582 36997.4921875 3.68 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2960 118.086387634277 61979.0078125 6.17 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2961 127.533218383789 3126.70092773438 0.31 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2962 129.102493286133 119557.765625 11.9 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2963 129.113388061523 17992.248046875 1.79 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2964 130.049987792969 894460.25 89 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2965 130.086349487305 163269.09375 16.25 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2966 130.096298217773 5541.70068359375 0.55 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2967 138.091659545898 4977.36181640625 0.5 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2968 138.102569580078 10837.1796875 1.08 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2969 144.558670043945 3019.34936523438 0.3 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2970 147.076416015625 1005005 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2971 147.112762451172 190010.625 18.91 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2972 156.300552368164 3563.12890625 0.35 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2973 158.09245300293 3216.63720703125 0.32 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2974 171.076248168945 3413.69702148438 0.34 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2975 177.550689697266 3003.36254882812 0.3 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2976 183.11262512207 28672.052734375 2.85 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2977 190.794464111328 3111.716796875 0.31 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2978 194.081283569336 3054.80810546875 0.3 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2979 200.048919677734 17289.095703125 1.72 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2980 211.143585205078 4624.5439453125 0.46 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2981 214.018432617188 2903.59130859375 0.29 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2982 228.133575439453 33692.7421875 3.35 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2983 229.118698120117 35895.65234375 3.57 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2984 229.154357910156 6166.2578125 0.61 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2985 246.05500793457 10908.7216796875 1.09 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2986 246.14274597168 40747.77734375 4.05 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2987 246.180313110352 44600.65625 4.44 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2988 246.202621459961 5074.580078125 0.5 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2989 262.875 3137.12841796875 0.31 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2990 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2991 RECORD_TITLE: MZ:247.1285 | RT:62.9 | grpid:241 | file:1 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2992 MS$FOCUSED_ION: PRECURSOR_M/Z 247.12854349772 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2993 AC$CHROMATOGRAPHY: RETENTION_TIME 62.924034 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2994 XCMS groupid (grpid): 241 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2995 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2996 PK$NUM_PEAK: 4 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2997 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2998 138.091659545898 13378.8500976562 21.8 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2999 183.112693786621 61367.470703125 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3000 229.118995666504 14858.046875 24.21 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3001 247.129051208496 17786.4794921875 28.98 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3002 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3003 RECORD_TITLE: MZ:247.1285 | RT:62.9 | grpid:241 | file:1 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3004 MS$FOCUSED_ION: PRECURSOR_M/Z 247.12854349772 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3005 AC$CHROMATOGRAPHY: RETENTION_TIME 62.924034 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3006 XCMS groupid (grpid): 241 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3007 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3008 PK$NUM_PEAK: 4 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3009 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3010 138.091659545898 13378.8500976562 21.8 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3011 183.112693786621 61367.470703125 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3012 229.118995666504 14858.046875 24.21 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3013 247.129051208496 17786.4794921875 28.98 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3014 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3015 RECORD_TITLE: MZ:247.1285 | RT:62.9 | grpid:241 | file:2 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3016 MS$FOCUSED_ION: PRECURSOR_M/Z 247.12854349772 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3017 AC$CHROMATOGRAPHY: RETENTION_TIME 62.924034 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3018 XCMS groupid (grpid): 241 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3019 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3020 PK$NUM_PEAK: 4 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3021 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3022 155.117858886719 15192.2561035156 20.49 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3023 183.112770080566 74141.34765625 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3024 229.11840057373 15723.8720703125 21.21 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3025 247.128791809082 21589.623046875 29.12 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3026 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3027 RECORD_TITLE: MZ:247.1285 | RT:62.9 | grpid:241 | file:2 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3028 MS$FOCUSED_ION: PRECURSOR_M/Z 247.12854349772 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3029 AC$CHROMATOGRAPHY: RETENTION_TIME 62.924034 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3030 XCMS groupid (grpid): 241 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3031 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3032 PK$NUM_PEAK: 4 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3033 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3034 155.117858886719 15192.2561035156 20.49 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3035 183.112770080566 74141.34765625 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3036 229.11840057373 15723.8720703125 21.21 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3037 247.128791809082 21589.623046875 29.12 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3038 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3039 RECORD_TITLE: MZ:249.0948 | RT:43.9 | grpid:246 | file:1 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3040 MS$FOCUSED_ION: PRECURSOR_M/Z 249.094795122248 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3041 AC$CHROMATOGRAPHY: RETENTION_TIME 43.9150368 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3042 XCMS groupid (grpid): 246 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3043 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3044 PK$NUM_PEAK: 27 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3045 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3046 100.417434692383 3012.53979492188 0.25 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3047 110.071434020996 52747.71484375 4.38 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3048 112.03719329834 1204596.875 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3049 112.310897827148 3575.49780273438 0.3 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3050 120.003074645996 4209.83837890625 0.35 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3051 120.065299987793 4691.2216796875 0.39 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3052 125.015129089355 3768.94604492188 0.31 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3053 130.047882080078 4939.74560546875 0.41 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3054 132.053253173828 159884.984375 13.27 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3055 133.03694152832 28776.453125 2.39 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3056 147.712509155273 3520.52807617188 0.29 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3057 153.063125610352 8966.9013671875 0.74 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3058 155.546905517578 4072.21923828125 0.34 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3059 157.506332397461 3476.060546875 0.29 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3060 160.048065185547 216563.09375 17.98 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3061 173.02961730957 17807.7265625 1.48 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3062 178.05859375 386586.875 32.09 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3063 187.09553527832 13148.18359375 1.09 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3064 191.040130615234 161698.859375 13.42 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3065 191.058059692383 6976.28173828125 0.58 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3066 191.076446533203 57719.375 4.79 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3067 193.122222900391 8479.275390625 0.7 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3068 201.073806762695 8188.94873046875 0.68 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3069 203.09098815918 35861.9765625 2.98 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3070 232.06901550293 202170.046875 16.78 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3071 249.095581054688 864044.125 71.73 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3072 256.981597900391 3960.87768554688 0.33 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3073 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3074 RECORD_TITLE: MZ:249.0948 | RT:43.9 | grpid:246 | file:1 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3075 MS$FOCUSED_ION: PRECURSOR_M/Z 249.094795122248 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3076 AC$CHROMATOGRAPHY: RETENTION_TIME 43.9150368 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3077 XCMS groupid (grpid): 246 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3078 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3079 PK$NUM_PEAK: 27 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3080 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3081 100.417434692383 3012.53979492188 0.25 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3082 110.071434020996 52747.71484375 4.38 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3083 112.03719329834 1204596.875 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3084 112.310897827148 3575.49780273438 0.3 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3085 120.003074645996 4209.83837890625 0.35 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3086 120.065299987793 4691.2216796875 0.39 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3087 125.015129089355 3768.94604492188 0.31 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3088 130.047882080078 4939.74560546875 0.41 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3089 132.053253173828 159884.984375 13.27 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3090 133.03694152832 28776.453125 2.39 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3091 147.712509155273 3520.52807617188 0.29 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3092 153.063125610352 8966.9013671875 0.74 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3093 155.546905517578 4072.21923828125 0.34 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3094 157.506332397461 3476.060546875 0.29 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3095 160.048065185547 216563.09375 17.98 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3096 173.02961730957 17807.7265625 1.48 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3097 178.05859375 386586.875 32.09 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3098 187.09553527832 13148.18359375 1.09 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3099 191.040130615234 161698.859375 13.42 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3100 191.058059692383 6976.28173828125 0.58 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3101 191.076446533203 57719.375 4.79 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3102 193.122222900391 8479.275390625 0.7 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3103 201.073806762695 8188.94873046875 0.68 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3104 203.09098815918 35861.9765625 2.98 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3105 232.06901550293 202170.046875 16.78 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3106 249.095581054688 864044.125 71.73 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3107 256.981597900391 3960.87768554688 0.33 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3108 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3109 RECORD_TITLE: MZ:249.0948 | RT:43.9 | grpid:246 | file:2 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3110 MS$FOCUSED_ION: PRECURSOR_M/Z 249.094795122248 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3111 AC$CHROMATOGRAPHY: RETENTION_TIME 43.9150368 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3112 XCMS groupid (grpid): 246 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3113 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3114 PK$NUM_PEAK: 24 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3115 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3116 102.05534362793 5758.3828125 0.61 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3117 110.071769714355 39500.23828125 4.2 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3118 112.037246704102 940339.1875 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3119 120.003524780273 6103.93701171875 0.65 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3120 120.065902709961 10654.81640625 1.13 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3121 130.049179077148 4996.4912109375 0.53 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3122 132.053283691406 119280.65625 12.68 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3123 133.037567138672 29320.185546875 3.12 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3124 134.018768310547 11701.443359375 1.24 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3125 153.063461303711 15509.638671875 1.65 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3126 160.048049926758 171535.25 18.24 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3127 173.029846191406 18237.09375 1.94 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3128 177.075286865234 3303.73095703125 0.35 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3129 178.058670043945 303257.25 32.25 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3130 180.905288696289 3644.25463867188 0.39 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3131 187.095825195312 6590.21435546875 0.7 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3132 191.040252685547 270489.15625 28.77 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3133 191.07649230957 83460.109375 8.88 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3134 193.122436523438 4344.080078125 0.46 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3135 196.547912597656 3137.29174804688 0.33 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3136 201.074554443359 5955.5576171875 0.63 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3137 203.089859008789 23535.162109375 2.5 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3138 232.069076538086 151738.125 16.14 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3139 249.095672607422 689680.875 73.34 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3140 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3141 RECORD_TITLE: MZ:249.0948 | RT:43.9 | grpid:246 | file:2 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3142 MS$FOCUSED_ION: PRECURSOR_M/Z 249.094795122248 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3143 AC$CHROMATOGRAPHY: RETENTION_TIME 43.9150368 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3144 XCMS groupid (grpid): 246 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3145 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3146 PK$NUM_PEAK: 24 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3147 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3148 102.05534362793 5758.3828125 0.61 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3149 110.071769714355 39500.23828125 4.2 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3150 112.037246704102 940339.1875 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3151 120.003524780273 6103.93701171875 0.65 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3152 120.065902709961 10654.81640625 1.13 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3153 130.049179077148 4996.4912109375 0.53 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3154 132.053283691406 119280.65625 12.68 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3155 133.037567138672 29320.185546875 3.12 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3156 134.018768310547 11701.443359375 1.24 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3157 153.063461303711 15509.638671875 1.65 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3158 160.048049926758 171535.25 18.24 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3159 173.029846191406 18237.09375 1.94 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3160 177.075286865234 3303.73095703125 0.35 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3161 178.058670043945 303257.25 32.25 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3162 180.905288696289 3644.25463867188 0.39 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3163 187.095825195312 6590.21435546875 0.7 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3164 191.040252685547 270489.15625 28.77 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3165 191.07649230957 83460.109375 8.88 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3166 193.122436523438 4344.080078125 0.46 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3167 196.547912597656 3137.29174804688 0.33 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3168 201.074554443359 5955.5576171875 0.63 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3169 203.089859008789 23535.162109375 2.5 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3170 232.069076538086 151738.125 16.14 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3171 249.095672607422 689680.875 73.34 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3172 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3173 RECORD_TITLE: MZ:253.152 | RT:130.8 | grpid:254 | file:1 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3174 MS$FOCUSED_ION: PRECURSOR_M/Z 253.152010413701 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3175 AC$CHROMATOGRAPHY: RETENTION_TIME 130.794318 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3176 XCMS groupid (grpid): 254 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3177 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3178 PK$NUM_PEAK: 10 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3179 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3180 107.091743469238 2954.37670898438 3.89 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3181 110.071716308594 33523.06640625 44.11 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3182 120.081520080566 3132.15551757812 4.12 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3183 140.067886352539 33707.0078125 44.36 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3184 141.054458618164 2880.50244140625 3.79 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3185 154.083801269531 21151.53515625 27.83 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3186 156.076873779297 3850.58935546875 5.07 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3187 200.121810913086 2855.59790039062 3.76 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3188 235.118896484375 4956.2041015625 6.52 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3189 253.152420043945 75993.6953125 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3190 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3191 RECORD_TITLE: MZ:253.152 | RT:130.8 | grpid:254 | file:1 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3192 MS$FOCUSED_ION: PRECURSOR_M/Z 253.152010413701 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3193 AC$CHROMATOGRAPHY: RETENTION_TIME 130.794318 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3194 XCMS groupid (grpid): 254 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3195 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3196 PK$NUM_PEAK: 10 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3197 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3198 107.091743469238 2954.37670898438 3.89 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3199 110.071716308594 33523.06640625 44.11 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3200 120.081520080566 3132.15551757812 4.12 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3201 140.067886352539 33707.0078125 44.36 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3202 141.054458618164 2880.50244140625 3.79 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3203 154.083801269531 21151.53515625 27.83 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3204 156.076873779297 3850.58935546875 5.07 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3205 200.121810913086 2855.59790039062 3.76 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3206 235.118896484375 4956.2041015625 6.52 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3207 253.152420043945 75993.6953125 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3208 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3209 RECORD_TITLE: MZ:253.152 | RT:130.8 | grpid:254 | file:2 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3210 MS$FOCUSED_ION: PRECURSOR_M/Z 253.152010413701 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3211 AC$CHROMATOGRAPHY: RETENTION_TIME 130.794318 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3212 XCMS groupid (grpid): 254 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3213 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3214 PK$NUM_PEAK: 13 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3215 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3216 107.339874267578 2320.88403320312 2.8 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3217 110.071655273438 38185.00390625 46.14 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3218 115.528038024902 2485.31811523438 3 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3219 124.155448913574 2436.33129882812 2.94 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3220 140.068161010742 36911.69921875 44.6 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3221 153.270446777344 2888.85546875 3.49 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3222 154.083755493164 21753.724609375 26.29 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3223 157.152938842773 2905.64404296875 3.51 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3224 169.125030517578 2750.21606445312 3.32 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3225 193.291427612305 2772.30908203125 3.35 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3226 212.793746948242 3007.59448242188 3.63 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3227 235.118835449219 4806.6279296875 5.81 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3228 253.152038574219 82753.3125 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3229 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3230 RECORD_TITLE: MZ:253.152 | RT:130.8 | grpid:254 | file:2 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3231 MS$FOCUSED_ION: PRECURSOR_M/Z 253.152010413701 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3232 AC$CHROMATOGRAPHY: RETENTION_TIME 130.794318 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3233 XCMS groupid (grpid): 254 |
|
fc9bb7e49a3a
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 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3235 PK$NUM_PEAK: 13 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3236 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3237 107.339874267578 2320.88403320312 2.8 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3238 110.071655273438 38185.00390625 46.14 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3239 115.528038024902 2485.31811523438 3 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3240 124.155448913574 2436.33129882812 2.94 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3241 140.068161010742 36911.69921875 44.6 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3242 153.270446777344 2888.85546875 3.49 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3243 154.083755493164 21753.724609375 26.29 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3244 157.152938842773 2905.64404296875 3.51 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3245 169.125030517578 2750.21606445312 3.32 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3246 193.291427612305 2772.30908203125 3.35 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3247 212.793746948242 3007.59448242188 3.63 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3248 235.118835449219 4806.6279296875 5.81 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3249 253.152038574219 82753.3125 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3250 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3251 RECORD_TITLE: MZ:260.16 | RT:64.4 | grpid:268 | file:1 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3252 MS$FOCUSED_ION: PRECURSOR_M/Z 260.159953818855 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3253 AC$CHROMATOGRAPHY: RETENTION_TIME 64.427298 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3254 XCMS groupid (grpid): 268 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3255 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3256 PK$NUM_PEAK: 21 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3257 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3258 101.07137298584 159622.4765625 36.51 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3259 101.107887268066 10705.1762695312 2.45 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3260 102.055473327637 29658.279296875 6.78 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3261 129.065994262695 75669.8544921875 17.31 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3262 129.102317810059 46640.791015625 10.67 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3263 130.049942016602 202347.990234375 46.28 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3264 130.086471557617 29637.9765625 6.78 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3265 131.118072509766 74113.953125 16.95 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3266 132.101943969727 211108.490234375 48.28 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3267 143.117904663086 89486.7578125 20.47 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3268 147.07633972168 226557.228515625 51.82 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3269 147.112670898438 37100.044921875 8.49 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3270 157.133430480957 55184.203125 12.62 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3271 185.128707885742 17955.962890625 4.11 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3272 196.144348144531 224106.953125 51.26 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3273 197.128387451172 91723.1875 20.98 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3274 225.123069763184 17221.3359375 3.94 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3275 242.149703979492 437216.94140625 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3276 243.133697509766 61300.603515625 14.02 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3277 260.160217285156 128216.2578125 29.33 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3278 260.196762084961 14821.4155273438 3.39 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3279 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3280 RECORD_TITLE: MZ:260.16 | RT:64.4 | grpid:268 | file:1 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3281 MS$FOCUSED_ION: PRECURSOR_M/Z 260.159953818855 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3282 AC$CHROMATOGRAPHY: RETENTION_TIME 64.427298 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3283 XCMS groupid (grpid): 268 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3284 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3285 PK$NUM_PEAK: 21 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3286 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3287 101.07137298584 159622.4765625 36.51 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3288 101.107887268066 10705.1762695312 2.45 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3289 102.055473327637 29658.279296875 6.78 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3290 129.065994262695 75669.8544921875 17.31 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3291 129.102317810059 46640.791015625 10.67 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3292 130.049942016602 202347.990234375 46.28 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3293 130.086471557617 29637.9765625 6.78 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3294 131.118072509766 74113.953125 16.95 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3295 132.101943969727 211108.490234375 48.28 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3296 143.117904663086 89486.7578125 20.47 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3297 147.07633972168 226557.228515625 51.82 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3298 147.112670898438 37100.044921875 8.49 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3299 157.133430480957 55184.203125 12.62 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3300 185.128707885742 17955.962890625 4.11 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3301 196.144348144531 224106.953125 51.26 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3302 197.128387451172 91723.1875 20.98 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3303 225.123069763184 17221.3359375 3.94 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3304 242.149703979492 437216.94140625 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3305 243.133697509766 61300.603515625 14.02 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3306 260.160217285156 128216.2578125 29.33 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3307 260.196762084961 14821.4155273438 3.39 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3308 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3309 RECORD_TITLE: MZ:260.16 | RT:64.4 | grpid:268 | file:2 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3310 MS$FOCUSED_ION: PRECURSOR_M/Z 260.159953818855 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3311 AC$CHROMATOGRAPHY: RETENTION_TIME 64.427298 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3312 XCMS groupid (grpid): 268 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3313 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3314 PK$NUM_PEAK: 19 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3315 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3316 101.071388244629 70008.265625 9.52 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3317 101.107944488525 11458.4409179688 1.56 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3318 102.05549621582 22510.1015625 3.06 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3319 129.102348327637 47012.296875 6.39 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3320 130.049980163574 673987.203125 91.64 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3321 130.086318969727 44739.2958984375 6.08 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3322 131.118072509766 51316.1083984375 6.98 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3323 132.102005004883 53785.2109375 7.31 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3324 143.117904663086 106854.31640625 14.53 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3325 147.076400756836 735483.28125 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3326 147.112670898438 53170.6953125 7.23 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3327 157.133514404297 60700.27734375 8.25 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3328 171.076461791992 5268.70166015625 0.72 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3329 171.112846374512 20033.158203125 2.72 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3330 185.128845214844 21512.177734375 2.92 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3331 197.128410339355 65488.1416015625 8.9 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3332 243.133796691895 57645.177734375 7.84 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3333 260.160171508789 46796.5615234375 6.36 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3334 260.196014404297 27617.501953125 3.76 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3335 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3336 RECORD_TITLE: MZ:260.16 | RT:64.4 | grpid:268 | file:2 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3337 MS$FOCUSED_ION: PRECURSOR_M/Z 260.159953818855 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3338 AC$CHROMATOGRAPHY: RETENTION_TIME 64.427298 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3339 XCMS groupid (grpid): 268 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3340 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3341 PK$NUM_PEAK: 19 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3342 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3343 101.071388244629 70008.265625 9.52 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3344 101.107944488525 11458.4409179688 1.56 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3345 102.05549621582 22510.1015625 3.06 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3346 129.102348327637 47012.296875 6.39 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3347 130.049980163574 673987.203125 91.64 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3348 130.086318969727 44739.2958984375 6.08 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3349 131.118072509766 51316.1083984375 6.98 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3350 132.102005004883 53785.2109375 7.31 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3351 143.117904663086 106854.31640625 14.53 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3352 147.076400756836 735483.28125 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3353 147.112670898438 53170.6953125 7.23 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3354 157.133514404297 60700.27734375 8.25 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3355 171.076461791992 5268.70166015625 0.72 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3356 171.112846374512 20033.158203125 2.72 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3357 185.128845214844 21512.177734375 2.92 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3358 197.128410339355 65488.1416015625 8.9 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3359 243.133796691895 57645.177734375 7.84 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3360 260.160171508789 46796.5615234375 6.36 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3361 260.196014404297 27617.501953125 3.76 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3362 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3363 RECORD_TITLE: MZ:263.1945 | RT:74.3 | grpid:278 | file:1 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3364 MS$FOCUSED_ION: PRECURSOR_M/Z 263.194464580713 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3365 AC$CHROMATOGRAPHY: RETENTION_TIME 74.297424 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3366 XCMS groupid (grpid): 278 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3367 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3368 PK$NUM_PEAK: 14 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3369 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3370 104.229377746582 2670.97973632812 20.32 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3371 125.071014404297 2436.50610351562 18.53 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3372 126.956985473633 2508.49682617188 19.08 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3373 132.101974487305 4779.98095703125 36.36 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3374 142.271881103516 2367.89501953125 18.01 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3375 143.180847167969 2537.232421875 19.3 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3376 143.889801025391 2502.43676757812 19.03 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3377 144.065383911133 4720.419921875 35.91 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3378 147.819519042969 3093.35034179688 23.53 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3379 157.270568847656 2616.5419921875 19.9 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3380 162.076217651367 4974.1162109375 37.84 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3381 181.096832275391 4266.16552734375 32.45 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3382 199.108200073242 13146.6943359375 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3383 215.066757202148 2878.05126953125 21.89 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3384 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3385 RECORD_TITLE: MZ:263.1945 | RT:74.3 | grpid:278 | file:1 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3386 MS$FOCUSED_ION: PRECURSOR_M/Z 263.194464580713 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3387 AC$CHROMATOGRAPHY: RETENTION_TIME 74.297424 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3388 XCMS groupid (grpid): 278 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3389 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3390 PK$NUM_PEAK: 14 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3391 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3392 104.229377746582 2670.97973632812 20.32 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3393 125.071014404297 2436.50610351562 18.53 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3394 126.956985473633 2508.49682617188 19.08 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3395 132.101974487305 4779.98095703125 36.36 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3396 142.271881103516 2367.89501953125 18.01 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3397 143.180847167969 2537.232421875 19.3 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3398 143.889801025391 2502.43676757812 19.03 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3399 144.065383911133 4720.419921875 35.91 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3400 147.819519042969 3093.35034179688 23.53 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3401 157.270568847656 2616.5419921875 19.9 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3402 162.076217651367 4974.1162109375 37.84 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3403 181.096832275391 4266.16552734375 32.45 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3404 199.108200073242 13146.6943359375 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3405 215.066757202148 2878.05126953125 21.89 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3406 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3407 RECORD_TITLE: MZ:263.1945 | RT:74.3 | grpid:278 | file:2 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3408 MS$FOCUSED_ION: PRECURSOR_M/Z 263.194464580713 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3409 AC$CHROMATOGRAPHY: RETENTION_TIME 74.297424 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3410 XCMS groupid (grpid): 278 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3411 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3412 PK$NUM_PEAK: 12 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3413 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3414 102.054862976074 2515.89672851562 15.73 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3415 107.425888061523 3018.11962890625 18.88 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3416 115.45637512207 3103.68212890625 19.41 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3417 125.070823669434 12441.646484375 77.81 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3418 132.102188110352 11508.607421875 71.97 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3419 144.065383911133 3684.8544921875 23.05 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3420 153.460296630859 2812.95043945312 17.59 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3421 162.076293945312 5988.267578125 37.45 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3422 171.07600402832 5756.02001953125 36 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3423 181.097198486328 4367.5654296875 27.31 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3424 199.107574462891 15989.814453125 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3425 263.089477539062 2743.9130859375 17.16 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3426 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3427 RECORD_TITLE: MZ:263.1945 | RT:74.3 | grpid:278 | file:2 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3428 MS$FOCUSED_ION: PRECURSOR_M/Z 263.194464580713 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3429 AC$CHROMATOGRAPHY: RETENTION_TIME 74.297424 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3430 XCMS groupid (grpid): 278 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3431 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3432 PK$NUM_PEAK: 12 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3433 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3434 102.054862976074 2515.89672851562 15.73 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3435 107.425888061523 3018.11962890625 18.88 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3436 115.45637512207 3103.68212890625 19.41 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3437 125.070823669434 12441.646484375 77.81 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3438 132.102188110352 11508.607421875 71.97 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3439 144.065383911133 3684.8544921875 23.05 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3440 153.460296630859 2812.95043945312 17.59 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3441 162.076293945312 5988.267578125 37.45 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3442 171.07600402832 5756.02001953125 36 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3443 181.097198486328 4367.5654296875 27.31 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3444 199.107574462891 15989.814453125 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3445 263.089477539062 2743.9130859375 17.16 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3446 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3447 RECORD_TITLE: MZ:265.0719 | RT:46.2 | grpid:282 | file:1 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3448 MS$FOCUSED_ION: PRECURSOR_M/Z 265.07194783613 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3449 AC$CHROMATOGRAPHY: RETENTION_TIME 46.161033 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3450 XCMS groupid (grpid): 282 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3451 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3452 PK$NUM_PEAK: 23 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3453 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3454 100.917625427246 6046.6025390625 8.42 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3455 114.893188476562 23901.982421875 33.29 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3456 120.00350189209 50695.48046875 70.6 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3457 120.011451721191 4107.23486328125 5.72 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3458 120.842704772949 2651.08349609375 3.69 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3459 128.031997680664 10692.1181640625 14.89 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3460 132.053787231445 2915.28295898438 4.06 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3461 132.306900024414 2790.7412109375 3.89 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3462 150.013809204102 3940.181640625 5.49 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3463 159.014419555664 13139.130859375 18.3 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3464 164.029174804688 12922.8828125 18 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3465 168.126541137695 2528.20141601562 3.52 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3466 177.024536132812 51960.16796875 72.36 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3467 178.974594116211 3382.53393554688 4.71 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3468 191.040161132812 40791.80078125 56.81 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3469 191.076614379883 12475.3291015625 17.37 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3470 203.040481567383 12859.3427734375 17.91 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3471 207.014724731445 71808.90625 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3472 207.033813476562 5442.322265625 7.58 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3473 207.051803588867 15503.8115234375 21.59 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3474 218.967727661133 12146.615234375 16.92 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3475 221.051132202148 15837.3603515625 22.05 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3476 265.072113037109 5118.56787109375 7.13 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3477 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3478 RECORD_TITLE: MZ:265.0719 | RT:46.2 | grpid:282 | file:1 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3479 MS$FOCUSED_ION: PRECURSOR_M/Z 265.07194783613 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3480 AC$CHROMATOGRAPHY: RETENTION_TIME 46.161033 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3481 XCMS groupid (grpid): 282 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3482 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3483 PK$NUM_PEAK: 23 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3484 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3485 100.917625427246 6046.6025390625 8.42 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3486 114.893188476562 23901.982421875 33.29 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3487 120.00350189209 50695.48046875 70.6 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3488 120.011451721191 4107.23486328125 5.72 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3489 120.842704772949 2651.08349609375 3.69 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3490 128.031997680664 10692.1181640625 14.89 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3491 132.053787231445 2915.28295898438 4.06 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3492 132.306900024414 2790.7412109375 3.89 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3493 150.013809204102 3940.181640625 5.49 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3494 159.014419555664 13139.130859375 18.3 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3495 164.029174804688 12922.8828125 18 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3496 168.126541137695 2528.20141601562 3.52 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3497 177.024536132812 51960.16796875 72.36 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3498 178.974594116211 3382.53393554688 4.71 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3499 191.040161132812 40791.80078125 56.81 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3500 191.076614379883 12475.3291015625 17.37 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3501 203.040481567383 12859.3427734375 17.91 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3502 207.014724731445 71808.90625 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3503 207.033813476562 5442.322265625 7.58 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3504 207.051803588867 15503.8115234375 21.59 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3505 218.967727661133 12146.615234375 16.92 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3506 221.051132202148 15837.3603515625 22.05 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3507 265.072113037109 5118.56787109375 7.13 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3508 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3509 RECORD_TITLE: MZ:265.0719 | RT:46.2 | grpid:282 | file:2 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3510 MS$FOCUSED_ION: PRECURSOR_M/Z 265.07194783613 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3511 AC$CHROMATOGRAPHY: RETENTION_TIME 46.161033 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3512 XCMS groupid (grpid): 282 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3513 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3514 PK$NUM_PEAK: 20 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3515 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3516 100.917533874512 5757.15771484375 7.77 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3517 114.893119812012 28334.666015625 38.23 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3518 116.069046020508 2184.07983398438 2.95 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3519 120.003402709961 52203.078125 70.44 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3520 128.031951904297 2988.5576171875 4.03 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3521 143.819931030273 2752.82299804688 3.71 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3522 159.01416015625 9665.548828125 13.04 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3523 164.029495239258 17030.798828125 22.98 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3524 177.024795532227 50298.484375 67.87 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3525 178.974868774414 5489.63671875 7.41 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3526 191.040267944336 45181.4609375 60.96 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3527 191.076950073242 13012.71484375 17.56 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3528 203.040756225586 11923.9248046875 16.09 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3529 205.05598449707 3205.2880859375 4.32 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3530 207.014450073242 74113.671875 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3531 207.034149169922 6027.6435546875 8.13 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3532 207.051879882812 13559.623046875 18.3 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3533 218.968139648438 6251.12109375 8.43 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3534 221.050872802734 15376.314453125 20.75 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3535 265.073425292969 5123.87353515625 6.91 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3536 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3537 RECORD_TITLE: MZ:265.0719 | RT:46.2 | grpid:282 | file:2 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3538 MS$FOCUSED_ION: PRECURSOR_M/Z 265.07194783613 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3539 AC$CHROMATOGRAPHY: RETENTION_TIME 46.161033 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3540 XCMS groupid (grpid): 282 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3541 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3542 PK$NUM_PEAK: 20 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3543 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3544 100.917533874512 5757.15771484375 7.77 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3545 114.893119812012 28334.666015625 38.23 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3546 116.069046020508 2184.07983398438 2.95 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3547 120.003402709961 52203.078125 70.44 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3548 128.031951904297 2988.5576171875 4.03 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3549 143.819931030273 2752.82299804688 3.71 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3550 159.01416015625 9665.548828125 13.04 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3551 164.029495239258 17030.798828125 22.98 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3552 177.024795532227 50298.484375 67.87 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3553 178.974868774414 5489.63671875 7.41 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3554 191.040267944336 45181.4609375 60.96 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3555 191.076950073242 13012.71484375 17.56 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3556 203.040756225586 11923.9248046875 16.09 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3557 205.05598449707 3205.2880859375 4.32 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3558 207.014450073242 74113.671875 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3559 207.034149169922 6027.6435546875 8.13 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3560 207.051879882812 13559.623046875 18.3 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3561 218.968139648438 6251.12109375 8.43 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3562 221.050872802734 15376.314453125 20.75 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3563 265.073425292969 5123.87353515625 6.91 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3564 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3565 RECORD_TITLE: MZ:268.9977 | RT:42.4 | grpid:298 | file:1 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3566 MS$FOCUSED_ION: PRECURSOR_M/Z 268.997725920593 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3567 AC$CHROMATOGRAPHY: RETENTION_TIME 42.4292958 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3568 XCMS groupid (grpid): 298 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3569 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3570 PK$NUM_PEAK: 16 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3571 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3572 104.992698669434 3048620 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3573 112.89591217041 40926.08984375 1.34 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3574 123.003486633301 4431.7578125 0.15 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3575 130.049285888672 3339.44555664062 0.11 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3576 135.772277832031 3055.81420898438 0.1 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3577 146.018997192383 27313.734375 0.9 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3578 170.042434692383 11567.099609375 0.38 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3579 176.162475585938 3204.0498046875 0.11 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3580 176.406677246094 3311.90942382812 0.11 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3581 176.992874145508 4265.4697265625 0.14 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3582 186.912292480469 32750.466796875 1.07 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3583 186.995330810547 97608.78125 3.2 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3584 192.990859985352 3744.81689453125 0.12 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3585 204.922805786133 30499.603515625 1 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3586 269.039306640625 5043.013671875 0.17 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3587 269.111785888672 15881.720703125 0.52 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3588 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3589 RECORD_TITLE: MZ:268.9977 | RT:42.4 | grpid:298 | file:1 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3590 MS$FOCUSED_ION: PRECURSOR_M/Z 268.997725920593 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3591 AC$CHROMATOGRAPHY: RETENTION_TIME 42.4292958 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3592 XCMS groupid (grpid): 298 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3593 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3594 PK$NUM_PEAK: 16 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3595 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3596 104.992698669434 3048620 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3597 112.89591217041 40926.08984375 1.34 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3598 123.003486633301 4431.7578125 0.15 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3599 130.049285888672 3339.44555664062 0.11 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3600 135.772277832031 3055.81420898438 0.1 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3601 146.018997192383 27313.734375 0.9 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3602 170.042434692383 11567.099609375 0.38 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3603 176.162475585938 3204.0498046875 0.11 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3604 176.406677246094 3311.90942382812 0.11 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3605 176.992874145508 4265.4697265625 0.14 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3606 186.912292480469 32750.466796875 1.07 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3607 186.995330810547 97608.78125 3.2 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3608 192.990859985352 3744.81689453125 0.12 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3609 204.922805786133 30499.603515625 1 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3610 269.039306640625 5043.013671875 0.17 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3611 269.111785888672 15881.720703125 0.52 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3612 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3613 RECORD_TITLE: MZ:268.9977 | RT:42.4 | grpid:298 | file:2 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3614 MS$FOCUSED_ION: PRECURSOR_M/Z 268.997725920593 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3615 AC$CHROMATOGRAPHY: RETENTION_TIME 42.4292958 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3616 XCMS groupid (grpid): 298 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3617 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3618 PK$NUM_PEAK: 19 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3619 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3620 104.992706298828 1722148.25 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3621 112.896064758301 66524.015625 3.86 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3622 113.738670349121 3244.43115234375 0.19 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3623 115.773323059082 2838.77758789062 0.16 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3624 123.003311157227 3811.267578125 0.22 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3625 146.019180297852 14343.2041015625 0.83 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3626 148.2451171875 3183.01879882812 0.18 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3627 154.949859619141 3207.18774414062 0.19 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3628 170.042373657227 14541.6875 0.84 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3629 176.992538452148 6518.30615234375 0.38 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3630 186.91178894043 35832.26953125 2.08 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3631 186.995223999023 44461.41796875 2.58 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3632 192.99055480957 13631.8642578125 0.79 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3633 204.922607421875 16718.0625 0.97 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3634 252.058502197266 5009.93701171875 0.29 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3635 269.085510253906 8565.349609375 0.5 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3636 269.111450195312 15712.990234375 0.91 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3637 273.454193115234 2715.39135742188 0.16 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3638 276.519256591797 3091.81103515625 0.18 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3639 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3640 RECORD_TITLE: MZ:268.9977 | RT:42.4 | grpid:298 | file:2 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3641 MS$FOCUSED_ION: PRECURSOR_M/Z 268.997725920593 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3642 AC$CHROMATOGRAPHY: RETENTION_TIME 42.4292958 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3643 XCMS groupid (grpid): 298 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3644 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3645 PK$NUM_PEAK: 19 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3646 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3647 104.992706298828 1722148.25 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3648 112.896064758301 66524.015625 3.86 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3649 113.738670349121 3244.43115234375 0.19 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3650 115.773323059082 2838.77758789062 0.16 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3651 123.003311157227 3811.267578125 0.22 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3652 146.019180297852 14343.2041015625 0.83 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3653 148.2451171875 3183.01879882812 0.18 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3654 154.949859619141 3207.18774414062 0.19 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3655 170.042373657227 14541.6875 0.84 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3656 176.992538452148 6518.30615234375 0.38 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3657 186.91178894043 35832.26953125 2.08 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3658 186.995223999023 44461.41796875 2.58 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3659 192.99055480957 13631.8642578125 0.79 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3660 204.922607421875 16718.0625 0.97 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3661 252.058502197266 5009.93701171875 0.29 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3662 269.085510253906 8565.349609375 0.5 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3663 269.111450195312 15712.990234375 0.91 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3664 273.454193115234 2715.39135742188 0.16 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3665 276.519256591797 3091.81103515625 0.18 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3666 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3667 RECORD_TITLE: MZ:272.1708 | RT:59.1 | grpid:303 | file:1 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3668 MS$FOCUSED_ION: PRECURSOR_M/Z 272.170776556479 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3669 AC$CHROMATOGRAPHY: RETENTION_TIME 59.113914 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3670 XCMS groupid (grpid): 303 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3671 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3672 PK$NUM_PEAK: 44 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3673 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3674 100.076187133789 11787.0771484375 1.58 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3675 110.071624755859 6275.3115234375 0.84 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3676 112.087253570557 252621.90625 33.96 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3677 113.071655273438 4598.30322265625 0.62 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3678 114.05598449707 3411.90991210938 0.46 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3679 114.103385925293 3633.01293945312 0.49 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3680 115.086818695068 27057.41015625 3.64 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3681 116.070896148682 405705.796875 54.54 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3682 125.071640014648 3976.06372070312 0.53 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3683 127.050193786621 6445.1923828125 0.87 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3684 128.070823669434 6600.75708007812 0.89 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3685 130.097663879395 17304.2758789062 2.33 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3686 138.055297851562 6954.76220703125 0.94 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3687 140.081802368164 42599.962890625 5.73 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3688 141.258346557617 3243.73388671875 0.44 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3689 144.065307617188 4190.72900390625 0.56 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3690 151.12313079834 14858.5131835938 2 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3691 154.034561157227 3980.0673828125 0.54 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3692 157.108322143555 91920.54296875 12.36 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3693 158.092430114746 96465.91796875 12.97 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3694 167.118408203125 5790.71630859375 0.78 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3695 168.990570068359 5556.48046875 0.75 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3696 172.952041625977 5756.025390625 0.77 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3697 172.985656738281 6526.55126953125 0.88 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3698 173.092254638672 4668.1748046875 0.63 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3699 175.118911743164 419561.875 56.41 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3700 181.98592376709 16487.8764648438 2.22 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3701 192.11311340332 15918.8686523438 2.14 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3702 194.129119873047 16881.3732910156 2.27 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3703 195.113021850586 88153.34765625 11.85 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3704 196.081298828125 3017.048828125 0.41 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3705 196.096382141113 34165.685546875 4.59 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3706 199.995834350586 3417.10375976562 0.46 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3707 209.139068603516 5848.64697265625 0.79 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3708 212.139427185059 3825.76684570312 0.51 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3709 213.123260498047 236411.0078125 31.78 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3710 213.143768310547 5725.1005859375 0.77 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3711 226.11799621582 8838.80078125 1.19 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3712 237.134162902832 4934.0205078125 0.66 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3713 238.117752075195 52792.4453125 7.1 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3714 238.11897277832 25840.982421875 3.47 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3715 254.161102294922 77688.982421875 10.44 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3716 255.14493560791 202720.796875 27.25 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3717 272.171401977539 743813.09375 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3718 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3719 RECORD_TITLE: MZ:272.1708 | RT:59.1 | grpid:303 | file:1 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3720 MS$FOCUSED_ION: PRECURSOR_M/Z 272.170776556479 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3721 AC$CHROMATOGRAPHY: RETENTION_TIME 59.113914 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3722 XCMS groupid (grpid): 303 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3723 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3724 PK$NUM_PEAK: 44 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3725 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3726 100.076187133789 11787.0771484375 1.58 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3727 110.071624755859 6275.3115234375 0.84 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3728 112.087253570557 252621.90625 33.96 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3729 113.071655273438 4598.30322265625 0.62 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3730 114.05598449707 3411.90991210938 0.46 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3731 114.103385925293 3633.01293945312 0.49 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3732 115.086818695068 27057.41015625 3.64 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3733 116.070896148682 405705.796875 54.54 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3734 125.071640014648 3976.06372070312 0.53 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3735 127.050193786621 6445.1923828125 0.87 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3736 128.070823669434 6600.75708007812 0.89 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3737 130.097663879395 17304.2758789062 2.33 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3738 138.055297851562 6954.76220703125 0.94 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3739 140.081802368164 42599.962890625 5.73 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3740 141.258346557617 3243.73388671875 0.44 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3741 144.065307617188 4190.72900390625 0.56 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3742 151.12313079834 14858.5131835938 2 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3743 154.034561157227 3980.0673828125 0.54 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3744 157.108322143555 91920.54296875 12.36 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3745 158.092430114746 96465.91796875 12.97 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3746 167.118408203125 5790.71630859375 0.78 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3747 168.990570068359 5556.48046875 0.75 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3748 172.952041625977 5756.025390625 0.77 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3749 172.985656738281 6526.55126953125 0.88 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3750 173.092254638672 4668.1748046875 0.63 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3751 175.118911743164 419561.875 56.41 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3752 181.98592376709 16487.8764648438 2.22 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3753 192.11311340332 15918.8686523438 2.14 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3754 194.129119873047 16881.3732910156 2.27 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3755 195.113021850586 88153.34765625 11.85 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3756 196.081298828125 3017.048828125 0.41 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3757 196.096382141113 34165.685546875 4.59 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3758 199.995834350586 3417.10375976562 0.46 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3759 209.139068603516 5848.64697265625 0.79 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3760 212.139427185059 3825.76684570312 0.51 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3761 213.123260498047 236411.0078125 31.78 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3762 213.143768310547 5725.1005859375 0.77 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3763 226.11799621582 8838.80078125 1.19 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3764 237.134162902832 4934.0205078125 0.66 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3765 238.117752075195 52792.4453125 7.1 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3766 238.11897277832 25840.982421875 3.47 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3767 254.161102294922 77688.982421875 10.44 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3768 255.14493560791 202720.796875 27.25 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3769 272.171401977539 743813.09375 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3770 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3771 RECORD_TITLE: MZ:272.1708 | RT:59.1 | grpid:303 | file:2 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3772 MS$FOCUSED_ION: PRECURSOR_M/Z 272.170776556479 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3773 AC$CHROMATOGRAPHY: RETENTION_TIME 59.113914 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3774 XCMS groupid (grpid): 303 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3775 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3776 PK$NUM_PEAK: 48 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3777 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3778 100.076290130615 15373.1440429688 2.3 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3779 110.023941040039 4066.50732421875 0.61 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3780 110.071594238281 5312.72412109375 0.8 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3781 112.087249755859 238432.75 35.73 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3782 115.086750030518 32197.478515625 4.83 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3783 116.070880889893 355083.203125 53.21 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3784 123.485488891602 3156.89135742188 0.47 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3785 125.071365356445 8344.171875 1.25 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3786 127.05054473877 6366.69580078125 0.95 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3787 128.070617675781 5714.35791015625 0.86 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3788 129.674026489258 3974.34008789062 0.6 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3789 130.050064086914 8027.97314453125 1.2 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3790 130.097694396973 14736.3837890625 2.21 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3791 130.525375366211 2623.5224609375 0.39 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3792 134.102203369141 2664.96557617188 0.4 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3793 138.054794311523 6436.328125 0.96 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3794 140.081733703613 35041.626953125 5.25 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3795 151.123085021973 15857.6005859375 2.38 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3796 157.1083984375 86879.818359375 13.02 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3797 158.092399597168 93229.7265625 13.97 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3798 167.118255615234 6129.56298828125 0.92 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3799 168.10139465332 3220.1953125 0.48 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3800 168.990631103516 13845.9501953125 2.07 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3801 172.985427856445 7066.3515625 1.06 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3802 175.118942260742 381651.3125 57.19 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3803 176.587432861328 2728.27294921875 0.41 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3804 181.986305236816 13435.4860839844 2.01 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3805 182.080230712891 3442.48120117188 0.52 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3806 185.103530883789 4269.2392578125 0.64 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3807 192.112907409668 7351.9912109375 1.1 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3808 194.128868103027 12971.6772460938 1.94 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3809 195.11287689209 78120.83984375 11.71 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3810 196.096473693848 27304.5727539062 4.09 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3811 199.996536254883 4580.322265625 0.69 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3812 209.092132568359 3605.17626953125 0.54 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3813 209.139144897461 4868.466796875 0.73 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3814 212.139236450195 6368.39599609375 0.95 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3815 213.123268127441 211089.609375 31.63 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3816 213.143600463867 4656.78369140625 0.7 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3817 223.013259887695 3245.58422851562 0.49 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3818 226.118873596191 7191.25927734375 1.08 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3819 232.815322875977 2904.64306640625 0.44 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3820 238.118087768555 36539.4365234375 5.48 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3821 254.160888671875 74828.216796875 11.21 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3822 255.11735534668 6694.04296875 1 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3823 255.122634887695 4730.10205078125 0.71 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3824 255.14493560791 192567.875 28.86 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3825 272.171432495117 667302.1875 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3826 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3827 RECORD_TITLE: MZ:272.1708 | RT:59.1 | grpid:303 | file:2 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3828 MS$FOCUSED_ION: PRECURSOR_M/Z 272.170776556479 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3829 AC$CHROMATOGRAPHY: RETENTION_TIME 59.113914 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3830 XCMS groupid (grpid): 303 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3831 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3832 PK$NUM_PEAK: 48 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3833 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3834 100.076290130615 15373.1440429688 2.3 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3835 110.023941040039 4066.50732421875 0.61 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3836 110.071594238281 5312.72412109375 0.8 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3837 112.087249755859 238432.75 35.73 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3838 115.086750030518 32197.478515625 4.83 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3839 116.070880889893 355083.203125 53.21 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3840 123.485488891602 3156.89135742188 0.47 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3841 125.071365356445 8344.171875 1.25 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3842 127.05054473877 6366.69580078125 0.95 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3843 128.070617675781 5714.35791015625 0.86 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3844 129.674026489258 3974.34008789062 0.6 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3845 130.050064086914 8027.97314453125 1.2 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3846 130.097694396973 14736.3837890625 2.21 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3847 130.525375366211 2623.5224609375 0.39 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3848 134.102203369141 2664.96557617188 0.4 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3849 138.054794311523 6436.328125 0.96 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3850 140.081733703613 35041.626953125 5.25 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3851 151.123085021973 15857.6005859375 2.38 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3852 157.1083984375 86879.818359375 13.02 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3853 158.092399597168 93229.7265625 13.97 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3854 167.118255615234 6129.56298828125 0.92 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3855 168.10139465332 3220.1953125 0.48 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3856 168.990631103516 13845.9501953125 2.07 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3857 172.985427856445 7066.3515625 1.06 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3858 175.118942260742 381651.3125 57.19 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3859 176.587432861328 2728.27294921875 0.41 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3860 181.986305236816 13435.4860839844 2.01 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3861 182.080230712891 3442.48120117188 0.52 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3862 185.103530883789 4269.2392578125 0.64 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3863 192.112907409668 7351.9912109375 1.1 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3864 194.128868103027 12971.6772460938 1.94 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3865 195.11287689209 78120.83984375 11.71 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3866 196.096473693848 27304.5727539062 4.09 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3867 199.996536254883 4580.322265625 0.69 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3868 209.092132568359 3605.17626953125 0.54 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3869 209.139144897461 4868.466796875 0.73 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3870 212.139236450195 6368.39599609375 0.95 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3871 213.123268127441 211089.609375 31.63 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3872 213.143600463867 4656.78369140625 0.7 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3873 223.013259887695 3245.58422851562 0.49 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3874 226.118873596191 7191.25927734375 1.08 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3875 232.815322875977 2904.64306640625 0.44 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3876 238.118087768555 36539.4365234375 5.48 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3877 254.160888671875 74828.216796875 11.21 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3878 255.11735534668 6694.04296875 1 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3879 255.122634887695 4730.10205078125 0.71 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3880 255.14493560791 192567.875 28.86 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3881 272.171432495117 667302.1875 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3882 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3883 RECORD_TITLE: MZ:274.1757 | RT:93.5 | grpid:306 | file:1 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3884 MS$FOCUSED_ION: PRECURSOR_M/Z 274.175657429697 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3885 AC$CHROMATOGRAPHY: RETENTION_TIME 93.504684 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3886 XCMS groupid (grpid): 306 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3887 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3888 PK$NUM_PEAK: 16 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3889 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3890 101.068878173828 3083.6005859375 2.14 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3891 111.12141418457 2919.10546875 2.03 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3892 115.086715698242 3843.61743164062 2.67 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3893 118.139419555664 2762.68212890625 1.92 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3894 152.241439819336 2889.55200195312 2.01 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3895 157.133491516113 144051.40234375 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3896 161.092239379883 103209.658203125 71.65 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3897 161.105804443359 4702.1435546875 3.26 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3898 171.149154663086 83996.7734375 58.31 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3899 171.16291809082 5722.12744140625 3.97 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3900 175.107849121094 28270.609375 19.63 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3901 185.128555297852 53323.5327148438 37.02 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3902 199.144088745117 10817.66796875 7.51 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3903 203.91975402832 2890.12939453125 2.01 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3904 213.804061889648 2904.75952148438 2.02 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3905 293.943817138672 3003.84594726562 2.09 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3906 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3907 RECORD_TITLE: MZ:274.1757 | RT:93.5 | grpid:306 | file:1 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3908 MS$FOCUSED_ION: PRECURSOR_M/Z 274.175657429697 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3909 AC$CHROMATOGRAPHY: RETENTION_TIME 93.504684 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3910 XCMS groupid (grpid): 306 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3911 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3912 PK$NUM_PEAK: 16 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3913 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3914 101.068878173828 3083.6005859375 2.14 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3915 111.12141418457 2919.10546875 2.03 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3916 115.086715698242 3843.61743164062 2.67 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3917 118.139419555664 2762.68212890625 1.92 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3918 152.241439819336 2889.55200195312 2.01 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3919 157.133491516113 144051.40234375 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3920 161.092239379883 103209.658203125 71.65 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3921 161.105804443359 4702.1435546875 3.26 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3922 171.149154663086 83996.7734375 58.31 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3923 171.16291809082 5722.12744140625 3.97 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3924 175.107849121094 28270.609375 19.63 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3925 185.128555297852 53323.5327148438 37.02 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3926 199.144088745117 10817.66796875 7.51 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3927 203.91975402832 2890.12939453125 2.01 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3928 213.804061889648 2904.75952148438 2.02 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3929 293.943817138672 3003.84594726562 2.09 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3930 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3931 RECORD_TITLE: MZ:274.1757 | RT:93.5 | grpid:306 | file:2 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3932 MS$FOCUSED_ION: PRECURSOR_M/Z 274.175657429697 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3933 AC$CHROMATOGRAPHY: RETENTION_TIME 93.504684 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3934 XCMS groupid (grpid): 306 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3935 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3936 PK$NUM_PEAK: 13 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3937 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3938 107.794586181641 2516.4248046875 1.77 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3939 115.086883544922 4926.205078125 3.47 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3940 134.339370727539 3014.974609375 2.12 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3941 157.133766174316 142052.423828125 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3942 161.092323303223 101951.368164062 71.77 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3943 171.149253845215 43933.560546875 30.93 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3944 171.217880249023 2739.57739257812 1.93 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3945 175.107727050781 28410.375 20 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3946 185.128898620605 57538.3051757812 40.5 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3947 185.144317626953 3739.43701171875 2.63 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3948 199.144180297852 6829.45703125 4.81 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3949 240.998413085938 3096.86401367188 2.18 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3950 244.528472900391 3161.3740234375 2.23 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3951 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3952 RECORD_TITLE: MZ:274.1757 | RT:93.5 | grpid:306 | file:2 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3953 MS$FOCUSED_ION: PRECURSOR_M/Z 274.175657429697 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3954 AC$CHROMATOGRAPHY: RETENTION_TIME 93.504684 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3955 XCMS groupid (grpid): 306 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3956 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3957 PK$NUM_PEAK: 13 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3958 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3959 107.794586181641 2516.4248046875 1.77 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3960 115.086883544922 4926.205078125 3.47 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3961 134.339370727539 3014.974609375 2.12 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3962 157.133766174316 142052.423828125 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3963 161.092323303223 101951.368164062 71.77 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3964 171.149253845215 43933.560546875 30.93 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3965 171.217880249023 2739.57739257812 1.93 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3966 175.107727050781 28410.375 20 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3967 185.128898620605 57538.3051757812 40.5 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3968 185.144317626953 3739.43701171875 2.63 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3969 199.144180297852 6829.45703125 4.81 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3970 240.998413085938 3096.86401367188 2.18 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3971 244.528472900391 3161.3740234375 2.23 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3972 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3973 RECORD_TITLE: MZ:277.1029 | RT:34 | grpid:311 | file:1 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3974 MS$FOCUSED_ION: PRECURSOR_M/Z 277.102858679325 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3975 AC$CHROMATOGRAPHY: RETENTION_TIME 34.0415226 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3976 XCMS groupid (grpid): 311 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3977 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3978 PK$NUM_PEAK: 11 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3979 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3980 102.055252075195 19285.34375 57.12 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3981 103.058700561523 11779.50390625 34.89 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3982 121.485000610352 2537.43798828125 7.52 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3983 130.049957275391 33762.67578125 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3984 131.053573608398 31767.23828125 94.09 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3985 135.140594482422 2774.06518554688 8.22 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3986 142.942428588867 2860.3330078125 8.47 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3987 148.060012817383 26213.484375 77.64 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3988 149.06379699707 17484.365234375 51.79 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3989 242.084671020508 14739.18359375 43.66 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3990 260.095520019531 9966.8857421875 29.52 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3991 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3992 RECORD_TITLE: MZ:277.1029 | RT:34 | grpid:311 | file:1 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3993 MS$FOCUSED_ION: PRECURSOR_M/Z 277.102858679325 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3994 AC$CHROMATOGRAPHY: RETENTION_TIME 34.0415226 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3995 XCMS groupid (grpid): 311 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3996 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3997 PK$NUM_PEAK: 11 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3998 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3999 102.055252075195 19285.34375 57.12 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4000 103.058700561523 11779.50390625 34.89 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4001 121.485000610352 2537.43798828125 7.52 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4002 130.049957275391 33762.67578125 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4003 131.053573608398 31767.23828125 94.09 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4004 135.140594482422 2774.06518554688 8.22 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4005 142.942428588867 2860.3330078125 8.47 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4006 148.060012817383 26213.484375 77.64 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4007 149.06379699707 17484.365234375 51.79 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4008 242.084671020508 14739.18359375 43.66 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4009 260.095520019531 9966.8857421875 29.52 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4010 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4011 RECORD_TITLE: MZ:277.1029 | RT:34 | grpid:311 | file:2 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4012 MS$FOCUSED_ION: PRECURSOR_M/Z 277.102858679325 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4013 AC$CHROMATOGRAPHY: RETENTION_TIME 34.0415226 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4014 XCMS groupid (grpid): 311 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4015 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4016 PK$NUM_PEAK: 33 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4017 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4018 101.117088317871 2863.08325195312 2.86 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4019 102.055404663086 61140.71484375 61.11 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4020 103.05867767334 48864.07421875 48.84 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4021 111.366973876953 2833.31323242188 2.83 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4022 130.049995422363 95717.5625 95.66 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4023 131.05354309082 100056.453125 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4024 137.712448120117 2819.294921875 2.82 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4025 145.24836730957 2623.4052734375 2.62 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4026 148.060363769531 73409.34765625 73.37 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4027 149.064056396484 78624.0078125 78.58 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4028 168.065742492676 7964.74584960938 7.96 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4029 168.085021972656 3935.74194335938 3.93 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4030 169.069152832031 19103.474609375 19.09 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4031 171.077941894531 3176.71948242188 3.17 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4032 187.943496704102 2877.6943359375 2.88 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4033 195.076248168945 5258.607421875 5.26 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4034 196.0625 2881.5732421875 2.88 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4035 196.079696655273 10778.5263671875 10.77 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4036 197.063247680664 10964.5751953125 10.96 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4037 200.51123046875 2897.78002929688 2.9 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4038 214.070541381836 3659.35961914062 3.66 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4039 214.089920043945 3769.673828125 3.77 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4040 215.074676513672 16016.048828125 16.01 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4041 216.662963867188 3348.08642578125 3.35 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4042 241.082122802734 18428.041015625 18.42 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4043 242.08576965332 19153.349609375 19.14 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4044 243.068954467773 3263.1953125 3.26 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4045 259.091766357422 11490.0615234375 11.48 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4046 260.077758789062 3573.9892578125 3.57 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4047 260.096435546875 13470.7333984375 13.46 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4048 261.079376220703 10932.662109375 10.93 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4049 278.105987548828 5054.4541015625 5.05 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4050 296.483093261719 2672.47143554688 2.67 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4051 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4052 RECORD_TITLE: MZ:277.1029 | RT:34 | grpid:311 | file:2 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4053 MS$FOCUSED_ION: PRECURSOR_M/Z 277.102858679325 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4054 AC$CHROMATOGRAPHY: RETENTION_TIME 34.0415226 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4055 XCMS groupid (grpid): 311 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4056 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4057 PK$NUM_PEAK: 33 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4058 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4059 101.117088317871 2863.08325195312 2.86 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4060 102.055404663086 61140.71484375 61.11 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4061 103.05867767334 48864.07421875 48.84 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4062 111.366973876953 2833.31323242188 2.83 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4063 130.049995422363 95717.5625 95.66 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4064 131.05354309082 100056.453125 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4065 137.712448120117 2819.294921875 2.82 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4066 145.24836730957 2623.4052734375 2.62 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4067 148.060363769531 73409.34765625 73.37 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4068 149.064056396484 78624.0078125 78.58 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4069 168.065742492676 7964.74584960938 7.96 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4070 168.085021972656 3935.74194335938 3.93 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4071 169.069152832031 19103.474609375 19.09 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4072 171.077941894531 3176.71948242188 3.17 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4073 187.943496704102 2877.6943359375 2.88 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4074 195.076248168945 5258.607421875 5.26 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4075 196.0625 2881.5732421875 2.88 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4076 196.079696655273 10778.5263671875 10.77 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4077 197.063247680664 10964.5751953125 10.96 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4078 200.51123046875 2897.78002929688 2.9 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4079 214.070541381836 3659.35961914062 3.66 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4080 214.089920043945 3769.673828125 3.77 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4081 215.074676513672 16016.048828125 16.01 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4082 216.662963867188 3348.08642578125 3.35 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4083 241.082122802734 18428.041015625 18.42 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4084 242.08576965332 19153.349609375 19.14 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4085 243.068954467773 3263.1953125 3.26 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4086 259.091766357422 11490.0615234375 11.48 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4087 260.077758789062 3573.9892578125 3.57 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4088 260.096435546875 13470.7333984375 13.46 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4089 261.079376220703 10932.662109375 10.93 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4090 278.105987548828 5054.4541015625 5.05 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4091 296.483093261719 2672.47143554688 2.67 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4092 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4093 RECORD_TITLE: MZ:279.1033 | RT:63.7 | grpid:313 | file:1 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4094 MS$FOCUSED_ION: PRECURSOR_M/Z 279.103270568746 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4095 AC$CHROMATOGRAPHY: RETENTION_TIME 63.683916 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4096 XCMS groupid (grpid): 313 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4097 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4098 PK$NUM_PEAK: 27 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4099 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4100 102.055374145508 99060.15625 12.22 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4101 104.053268432617 810346.25 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4102 105.037216186523 4860.92724609375 0.6 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4103 105.119819641113 3536.46728515625 0.44 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4104 121.028755187988 4230.94873046875 0.52 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4105 122.060264587402 48331.40625 5.96 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4106 130.049957275391 166260.296875 20.52 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4107 130.059768676758 5725.16845703125 0.71 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4108 131.016021728516 21972.888671875 2.71 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4109 133.031845092773 643111.375 79.36 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4110 136.075653076172 6655.1328125 0.82 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4111 138.59294128418 3106.81518554688 0.38 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4112 140.033798217773 4807.77783203125 0.59 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4113 140.070190429688 5408.396484375 0.67 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4114 142.049545288086 3321.40600585938 0.41 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4115 147.306976318359 3170.48095703125 0.39 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4116 149.023406982422 131090.984375 16.18 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4117 150.058334350586 539588 66.59 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4118 153.8173828125 2858.638671875 0.35 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4119 167.081314086914 15029.8408203125 1.85 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4120 168.065551757812 121723.78125 15.02 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4121 170.062957763672 31012.787109375 3.83 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4122 185.091812133789 4823.31982421875 0.6 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4123 186.126800537109 3235.509765625 0.4 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4124 216.06852722168 75573.1875 9.33 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4125 262.074645996094 45437.76171875 5.61 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4126 279.099304199219 7316.77685546875 0.9 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4127 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4128 RECORD_TITLE: MZ:279.1033 | RT:63.7 | grpid:313 | file:1 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4129 MS$FOCUSED_ION: PRECURSOR_M/Z 279.103270568746 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4130 AC$CHROMATOGRAPHY: RETENTION_TIME 63.683916 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4131 XCMS groupid (grpid): 313 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4132 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4133 PK$NUM_PEAK: 27 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4134 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4135 102.055374145508 99060.15625 12.22 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4136 104.053268432617 810346.25 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4137 105.037216186523 4860.92724609375 0.6 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4138 105.119819641113 3536.46728515625 0.44 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4139 121.028755187988 4230.94873046875 0.52 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4140 122.060264587402 48331.40625 5.96 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4141 130.049957275391 166260.296875 20.52 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4142 130.059768676758 5725.16845703125 0.71 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4143 131.016021728516 21972.888671875 2.71 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4144 133.031845092773 643111.375 79.36 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4145 136.075653076172 6655.1328125 0.82 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4146 138.59294128418 3106.81518554688 0.38 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4147 140.033798217773 4807.77783203125 0.59 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4148 140.070190429688 5408.396484375 0.67 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4149 142.049545288086 3321.40600585938 0.41 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4150 147.306976318359 3170.48095703125 0.39 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4151 149.023406982422 131090.984375 16.18 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4152 150.058334350586 539588 66.59 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4153 153.8173828125 2858.638671875 0.35 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4154 167.081314086914 15029.8408203125 1.85 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4155 168.065551757812 121723.78125 15.02 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4156 170.062957763672 31012.787109375 3.83 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4157 185.091812133789 4823.31982421875 0.6 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4158 186.126800537109 3235.509765625 0.4 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4159 216.06852722168 75573.1875 9.33 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4160 262.074645996094 45437.76171875 5.61 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4161 279.099304199219 7316.77685546875 0.9 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4162 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4163 RECORD_TITLE: MZ:280.0487 | RT:70.5 | grpid:315 | file:1 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4164 MS$FOCUSED_ION: PRECURSOR_M/Z 280.048703311343 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4165 AC$CHROMATOGRAPHY: RETENTION_TIME 70.461672 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4166 XCMS groupid (grpid): 315 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4167 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4168 PK$NUM_PEAK: 39 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4169 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4170 116.985786437988 33421.9296875 31 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4171 120.081001281738 11129.6591796875 10.32 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4172 123.669364929199 2818.08227539062 2.61 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4173 124.297996520996 2718.25439453125 2.52 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4174 134.996856689453 30773.3515625 28.54 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4175 135.777297973633 2776.31372070312 2.58 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4176 140.002090454102 4177.95703125 3.88 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4177 149.023239135742 11645.5498046875 10.8 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4178 150.026840209961 13410.5322265625 12.44 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4179 153.0068359375 5393.45361328125 5 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4180 158.012222290039 11300.4365234375 10.48 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4181 165.993804931641 5124.900390625 4.75 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4182 169.017227172852 4493.04736328125 4.17 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4183 183.03303527832 6156.767578125 5.71 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4184 183.074356079102 4537.5751953125 4.21 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4185 184.004486083984 34825.13671875 32.3 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4186 187.02799987793 13832.9482421875 12.83 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4187 192.031799316406 21062.65234375 19.54 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4188 194.048919677734 15237.623046875 14.13 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4189 199.027694702148 2852.01000976562 2.65 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4190 201.043640136719 6691.6064453125 6.21 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4191 202.015228271484 6205.7841796875 5.76 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4192 206.01252746582 5024.869140625 4.66 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4193 207.019683837891 5718.814453125 5.3 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4194 210.043426513672 21038.609375 19.51 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4195 212.058792114258 23444.162109375 21.74 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4196 216.12255859375 3983.77563476562 3.7 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4197 224.022918701172 27374.416015625 25.39 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4198 226.31071472168 2903.41137695312 2.69 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4199 232.589385986328 3353.01708984375 3.11 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4200 235.027587890625 11870.7802734375 11.01 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4201 235.075180053711 4295.79638671875 3.98 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4202 238.038330078125 64149.9453125 59.5 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4203 242.033279418945 13365.6953125 12.4 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4204 256.048919677734 107814.1484375 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4205 257.906707763672 2842.23803710938 2.64 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4206 261.055084228516 24014.6796875 22.27 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4207 279.065277099609 18450.875 17.11 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4208 280.126678466797 4697.37060546875 4.36 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4209 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4210 RECORD_TITLE: MZ:280.0487 | RT:70.5 | grpid:315 | file:1 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4211 MS$FOCUSED_ION: PRECURSOR_M/Z 280.048703311343 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4212 AC$CHROMATOGRAPHY: RETENTION_TIME 70.461672 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4213 XCMS groupid (grpid): 315 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4214 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4215 PK$NUM_PEAK: 39 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4216 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4217 116.985786437988 33421.9296875 31 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4218 120.081001281738 11129.6591796875 10.32 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4219 123.669364929199 2818.08227539062 2.61 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4220 124.297996520996 2718.25439453125 2.52 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4221 134.996856689453 30773.3515625 28.54 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4222 135.777297973633 2776.31372070312 2.58 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4223 140.002090454102 4177.95703125 3.88 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4224 149.023239135742 11645.5498046875 10.8 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4225 150.026840209961 13410.5322265625 12.44 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4226 153.0068359375 5393.45361328125 5 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4227 158.012222290039 11300.4365234375 10.48 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4228 165.993804931641 5124.900390625 4.75 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4229 169.017227172852 4493.04736328125 4.17 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4230 183.03303527832 6156.767578125 5.71 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4231 183.074356079102 4537.5751953125 4.21 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4232 184.004486083984 34825.13671875 32.3 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4233 187.02799987793 13832.9482421875 12.83 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4234 192.031799316406 21062.65234375 19.54 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4235 194.048919677734 15237.623046875 14.13 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4236 199.027694702148 2852.01000976562 2.65 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4237 201.043640136719 6691.6064453125 6.21 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4238 202.015228271484 6205.7841796875 5.76 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4239 206.01252746582 5024.869140625 4.66 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4240 207.019683837891 5718.814453125 5.3 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4241 210.043426513672 21038.609375 19.51 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4242 212.058792114258 23444.162109375 21.74 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4243 216.12255859375 3983.77563476562 3.7 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4244 224.022918701172 27374.416015625 25.39 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4245 226.31071472168 2903.41137695312 2.69 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4246 232.589385986328 3353.01708984375 3.11 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4247 235.027587890625 11870.7802734375 11.01 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4248 235.075180053711 4295.79638671875 3.98 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4249 238.038330078125 64149.9453125 59.5 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4250 242.033279418945 13365.6953125 12.4 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4251 256.048919677734 107814.1484375 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4252 257.906707763672 2842.23803710938 2.64 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4253 261.055084228516 24014.6796875 22.27 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4254 279.065277099609 18450.875 17.11 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4255 280.126678466797 4697.37060546875 4.36 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4256 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4257 RECORD_TITLE: MZ:280.0487 | RT:70.5 | grpid:315 | file:2 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4258 MS$FOCUSED_ION: PRECURSOR_M/Z 280.048703311343 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4259 AC$CHROMATOGRAPHY: RETENTION_TIME 70.461672 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4260 XCMS groupid (grpid): 315 |
|
fc9bb7e49a3a
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 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4262 PK$NUM_PEAK: 55 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4263 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4264 116.986145019531 90175.0546875 39.39 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4265 122.500762939453 2979.67431640625 1.3 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4266 126.041282653809 2491.48876953125 1.09 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4267 134.996520996094 69683.921875 30.44 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4268 135.49528503418 2877.74267578125 1.26 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4269 136.076446533203 2825.89599609375 1.23 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4270 140.002105712891 17324.423828125 7.57 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4271 149.023315429688 6188.7568359375 2.7 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4272 150.026840209961 14024.232421875 6.13 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4273 153.00715637207 5269.6083984375 2.3 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4274 158.012557983398 26838.8359375 11.72 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4275 165.993453979492 21357.70703125 9.33 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4276 169.017684936523 22446.642578125 9.8 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4277 176.023086547852 3675.767578125 1.61 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4278 181.017181396484 10685.3251953125 4.67 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4279 183.033020019531 17021.66015625 7.43 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4280 183.073638916016 4145.4111328125 1.81 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4281 184.004364013672 93690.78125 40.92 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4282 187.028121948242 27162.12109375 11.86 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4283 189.010116577148 3022.36352539062 1.32 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4284 192.032958984375 60132.24609375 26.26 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4285 194.048858642578 45500.17578125 19.87 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4286 196.004333496094 4326.826171875 1.89 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4287 197.012634277344 5415.9453125 2.37 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4288 199.027328491211 3211.62231445312 1.4 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4289 201.04377746582 27710.078125 12.1 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4290 202.015289306641 23209.02734375 10.14 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4291 206.01237487793 16058.1005859375 7.01 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4292 207.020263671875 28911.111328125 12.63 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4293 208.028656005859 6188.95556640625 2.7 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4294 209.879653930664 2802.0390625 1.22 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4295 210.043792724609 56488.05859375 24.67 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4296 212.058700561523 40054.265625 17.49 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4297 214.049499511719 3524.46118164062 1.54 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4298 220.028350830078 27485.8828125 12.01 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4299 224.023071289062 51054.2734375 22.3 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4300 225.031646728516 4745.40576171875 2.07 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4301 233.060745239258 14478.4443359375 6.32 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4302 235.028106689453 23754.62109375 10.38 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4303 235.074905395508 17054.966796875 7.45 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4304 238.038360595703 160082.4375 69.92 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4305 242.033233642578 39547.27734375 17.27 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4306 247.039764404297 10463.0517578125 4.57 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4307 252.053573608398 3761.64624023438 1.64 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4308 253.038848876953 11243.70703125 4.91 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4309 256.048950195312 228947.234375 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4310 258.058746337891 2875.9072265625 1.26 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4311 260.416839599609 3550.6279296875 1.55 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4312 261.054290771484 76607.53125 33.46 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4313 274.060211181641 10396.4326171875 4.54 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4314 279.064910888672 59201.4765625 25.86 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4315 279.905609130859 3107.13793945312 1.36 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4316 280.049163818359 13564.6298828125 5.92 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4317 280.126281738281 3274.9765625 1.43 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4318 302.081359863281 12904.4560546875 5.64 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4319 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4320 RECORD_TITLE: MZ:280.0487 | RT:70.5 | grpid:315 | file:2 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4321 MS$FOCUSED_ION: PRECURSOR_M/Z 280.048703311343 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4322 AC$CHROMATOGRAPHY: RETENTION_TIME 70.461672 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4323 XCMS groupid (grpid): 315 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4324 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4325 PK$NUM_PEAK: 55 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4326 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4327 116.986145019531 90175.0546875 39.39 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4328 122.500762939453 2979.67431640625 1.3 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4329 126.041282653809 2491.48876953125 1.09 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4330 134.996520996094 69683.921875 30.44 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4331 135.49528503418 2877.74267578125 1.26 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4332 136.076446533203 2825.89599609375 1.23 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4333 140.002105712891 17324.423828125 7.57 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4334 149.023315429688 6188.7568359375 2.7 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4335 150.026840209961 14024.232421875 6.13 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4336 153.00715637207 5269.6083984375 2.3 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4337 158.012557983398 26838.8359375 11.72 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4338 165.993453979492 21357.70703125 9.33 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4339 169.017684936523 22446.642578125 9.8 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4340 176.023086547852 3675.767578125 1.61 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4341 181.017181396484 10685.3251953125 4.67 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4342 183.033020019531 17021.66015625 7.43 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4343 183.073638916016 4145.4111328125 1.81 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4344 184.004364013672 93690.78125 40.92 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4345 187.028121948242 27162.12109375 11.86 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4346 189.010116577148 3022.36352539062 1.32 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4347 192.032958984375 60132.24609375 26.26 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4348 194.048858642578 45500.17578125 19.87 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4349 196.004333496094 4326.826171875 1.89 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4350 197.012634277344 5415.9453125 2.37 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4351 199.027328491211 3211.62231445312 1.4 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4352 201.04377746582 27710.078125 12.1 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4353 202.015289306641 23209.02734375 10.14 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4354 206.01237487793 16058.1005859375 7.01 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4355 207.020263671875 28911.111328125 12.63 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4356 208.028656005859 6188.95556640625 2.7 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4357 209.879653930664 2802.0390625 1.22 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4358 210.043792724609 56488.05859375 24.67 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4359 212.058700561523 40054.265625 17.49 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4360 214.049499511719 3524.46118164062 1.54 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4361 220.028350830078 27485.8828125 12.01 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4362 224.023071289062 51054.2734375 22.3 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4363 225.031646728516 4745.40576171875 2.07 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4364 233.060745239258 14478.4443359375 6.32 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4365 235.028106689453 23754.62109375 10.38 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4366 235.074905395508 17054.966796875 7.45 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4367 238.038360595703 160082.4375 69.92 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4368 242.033233642578 39547.27734375 17.27 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4369 247.039764404297 10463.0517578125 4.57 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4370 252.053573608398 3761.64624023438 1.64 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4371 253.038848876953 11243.70703125 4.91 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4372 256.048950195312 228947.234375 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4373 258.058746337891 2875.9072265625 1.26 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4374 260.416839599609 3550.6279296875 1.55 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4375 261.054290771484 76607.53125 33.46 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4376 274.060211181641 10396.4326171875 4.54 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4377 279.064910888672 59201.4765625 25.86 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4378 279.905609130859 3107.13793945312 1.36 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4379 280.049163818359 13564.6298828125 5.92 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4380 280.126281738281 3274.9765625 1.43 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4381 302.081359863281 12904.4560546875 5.64 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4382 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4383 RECORD_TITLE: MZ:281.1525 | RT:75 | grpid:320 | file:1 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4384 MS$FOCUSED_ION: PRECURSOR_M/Z 281.15252384442 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4385 AC$CHROMATOGRAPHY: RETENTION_TIME 75.040038 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4386 XCMS groupid (grpid): 320 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4387 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4388 PK$NUM_PEAK: 8 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4389 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4390 101.264610290527 2750.7802734375 0.33 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4391 103.05460357666 25212.22265625 3.05 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4392 120.081024169922 825684.1875 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4393 134.044647216797 5622.82958984375 0.68 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4394 143.130569458008 2861.20629882812 0.35 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4395 157.364059448242 2556.23803710938 0.31 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4396 196.631576538086 2650.54321289062 0.32 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4397 239.329803466797 2676.6943359375 0.32 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4398 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4399 RECORD_TITLE: MZ:281.1525 | RT:75 | grpid:320 | file:1 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4400 MS$FOCUSED_ION: PRECURSOR_M/Z 281.15252384442 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4401 AC$CHROMATOGRAPHY: RETENTION_TIME 75.040038 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4402 XCMS groupid (grpid): 320 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4403 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4404 PK$NUM_PEAK: 8 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4405 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4406 101.264610290527 2750.7802734375 0.33 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4407 103.05460357666 25212.22265625 3.05 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4408 120.081024169922 825684.1875 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4409 134.044647216797 5622.82958984375 0.68 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4410 143.130569458008 2861.20629882812 0.35 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4411 157.364059448242 2556.23803710938 0.31 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4412 196.631576538086 2650.54321289062 0.32 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4413 239.329803466797 2676.6943359375 0.32 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4414 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4415 RECORD_TITLE: MZ:281.1525 | RT:75 | grpid:320 | file:2 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4416 MS$FOCUSED_ION: PRECURSOR_M/Z 281.15252384442 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4417 AC$CHROMATOGRAPHY: RETENTION_TIME 75.040038 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4418 XCMS groupid (grpid): 320 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4419 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4420 PK$NUM_PEAK: 10 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4421 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4422 103.054763793945 34028.828125 3.95 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4423 119.951507568359 2629.16333007812 0.31 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4424 120.081024169922 861520.9375 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4425 134.045181274414 4133.95068359375 0.48 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4426 150.797470092773 2805.65991210938 0.33 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4427 153.656585693359 2774.79541015625 0.32 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4428 153.720336914062 3543.21435546875 0.41 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4429 189.584426879883 3025.72802734375 0.35 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4430 221.813919067383 2534.84301757812 0.29 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4431 267.996520996094 2868.07666015625 0.33 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4432 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4433 RECORD_TITLE: MZ:281.1525 | RT:75 | grpid:320 | file:2 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4434 MS$FOCUSED_ION: PRECURSOR_M/Z 281.15252384442 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4435 AC$CHROMATOGRAPHY: RETENTION_TIME 75.040038 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4436 XCMS groupid (grpid): 320 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4437 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4438 PK$NUM_PEAK: 10 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4439 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4440 103.054763793945 34028.828125 3.95 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4441 119.951507568359 2629.16333007812 0.31 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4442 120.081024169922 861520.9375 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4443 134.045181274414 4133.95068359375 0.48 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4444 150.797470092773 2805.65991210938 0.33 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4445 153.656585693359 2774.79541015625 0.32 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4446 153.720336914062 3543.21435546875 0.41 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4447 189.584426879883 3025.72802734375 0.35 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4448 221.813919067383 2534.84301757812 0.29 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4449 267.996520996094 2868.07666015625 0.33 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4450 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4451 RECORD_TITLE: MZ:285.0838 | RT:83.4 | grpid:329 | file:1 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4452 MS$FOCUSED_ION: PRECURSOR_M/Z 285.083759240311 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4453 AC$CHROMATOGRAPHY: RETENTION_TIME 83.441172 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4454 XCMS groupid (grpid): 329 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4455 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4456 PK$NUM_PEAK: 14 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4457 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4458 103.039367675781 34832.5 1.31 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4459 110.035171508789 114180.3125 4.3 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4460 110.071548461914 6402.4853515625 0.24 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4461 115.039337158203 143172.0625 5.39 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4462 115.047416687012 6747.39404296875 0.25 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4463 116.07063293457 4897.9365234375 0.18 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4464 128.045608520508 31904.515625 1.2 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4465 133.0107421875 3597.33544921875 0.14 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4466 133.049575805664 164647.703125 6.2 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4467 136.014129638672 190198.140625 7.16 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4468 142.105499267578 4813.17431640625 0.18 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4469 153.040679931641 2656807.5 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4470 154.024673461914 285199.78125 10.73 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4471 154.037857055664 4174.63427734375 0.16 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4472 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4473 RECORD_TITLE: MZ:285.0838 | RT:83.4 | grpid:329 | file:1 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4474 MS$FOCUSED_ION: PRECURSOR_M/Z 285.083759240311 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4475 AC$CHROMATOGRAPHY: RETENTION_TIME 83.441172 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4476 XCMS groupid (grpid): 329 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4477 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4478 PK$NUM_PEAK: 14 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4479 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4480 103.039367675781 34832.5 1.31 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4481 110.035171508789 114180.3125 4.3 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4482 110.071548461914 6402.4853515625 0.24 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4483 115.039337158203 143172.0625 5.39 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4484 115.047416687012 6747.39404296875 0.25 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4485 116.07063293457 4897.9365234375 0.18 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4486 128.045608520508 31904.515625 1.2 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4487 133.0107421875 3597.33544921875 0.14 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4488 133.049575805664 164647.703125 6.2 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4489 136.014129638672 190198.140625 7.16 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4490 142.105499267578 4813.17431640625 0.18 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4491 153.040679931641 2656807.5 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4492 154.024673461914 285199.78125 10.73 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4493 154.037857055664 4174.63427734375 0.16 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4494 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4495 RECORD_TITLE: MZ:285.0838 | RT:83.4 | grpid:329 | file:2 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4496 MS$FOCUSED_ION: PRECURSOR_M/Z 285.083759240311 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4497 AC$CHROMATOGRAPHY: RETENTION_TIME 83.441172 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4498 XCMS groupid (grpid): 329 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4499 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4500 PK$NUM_PEAK: 17 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4501 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4502 102.877166748047 11391.2080078125 0.37 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4503 103.039497375488 49776.1201171875 1.62 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4504 108.379875183105 10036.453125 0.33 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4505 110.035285949707 143627.953125 4.67 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4506 110.071723937988 13147.5751953125 0.43 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4507 115.039234161377 175429.3671875 5.7 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4508 128.045913696289 20794.7055664062 0.68 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4509 133.049644470215 212449.4140625 6.9 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4510 136.014183044434 281728.5859375 9.15 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4511 141.1025390625 4594.5947265625 0.15 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4512 153.04069519043 3077888.125 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4513 154.02466583252 313339.46875 10.18 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4514 154.037643432617 3128.84204101562 0.1 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4515 169.74462890625 11478.4873046875 0.37 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4516 276.099914550781 12241.7314453125 0.4 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4517 283.922821044922 10031.16015625 0.33 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4518 301.9716796875 10684.52734375 0.35 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4519 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4520 RECORD_TITLE: MZ:285.0838 | RT:83.4 | grpid:329 | file:2 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4521 MS$FOCUSED_ION: PRECURSOR_M/Z 285.083759240311 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4522 AC$CHROMATOGRAPHY: RETENTION_TIME 83.441172 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4523 XCMS groupid (grpid): 329 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4524 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4525 PK$NUM_PEAK: 17 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4526 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4527 102.877166748047 11391.2080078125 0.37 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4528 103.039497375488 49776.1201171875 1.62 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4529 108.379875183105 10036.453125 0.33 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4530 110.035285949707 143627.953125 4.67 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4531 110.071723937988 13147.5751953125 0.43 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4532 115.039234161377 175429.3671875 5.7 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4533 128.045913696289 20794.7055664062 0.68 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4534 133.049644470215 212449.4140625 6.9 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4535 136.014183044434 281728.5859375 9.15 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4536 141.1025390625 4594.5947265625 0.15 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4537 153.04069519043 3077888.125 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4538 154.02466583252 313339.46875 10.18 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4539 154.037643432617 3128.84204101562 0.1 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4540 169.74462890625 11478.4873046875 0.37 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4541 276.099914550781 12241.7314453125 0.4 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4542 283.922821044922 10031.16015625 0.33 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4543 301.9716796875 10684.52734375 0.35 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4544 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4545 RECORD_TITLE: MZ:287.052 | RT:43.2 | grpid:332 | file:1 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4546 MS$FOCUSED_ION: PRECURSOR_M/Z 287.052049791825 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4547 AC$CHROMATOGRAPHY: RETENTION_TIME 43.1829192 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4548 XCMS groupid (grpid): 332 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4549 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4550 PK$NUM_PEAK: 12 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4551 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4552 111.116577148438 2635.97485351562 3.74 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4553 113.805793762207 2529.7333984375 3.59 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4554 127.086990356445 3527.62426757812 5 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4555 160.03483581543 3110.06176757812 4.41 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4556 176.903930664062 2737.58935546875 3.88 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4557 194.251007080078 2985.20288085938 4.23 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4558 200.040542602539 2946.06127929688 4.18 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4559 214.034713745117 5480.310546875 7.77 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4560 230.111846923828 3778.5263671875 5.36 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4561 269.040222167969 2981.3544921875 4.23 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4562 287.050201416016 70541.3828125 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4563 304.021636962891 2973.06982421875 4.21 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4564 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4565 RECORD_TITLE: MZ:287.052 | RT:43.2 | grpid:332 | file:1 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4566 MS$FOCUSED_ION: PRECURSOR_M/Z 287.052049791825 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4567 AC$CHROMATOGRAPHY: RETENTION_TIME 43.1829192 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4568 XCMS groupid (grpid): 332 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4569 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4570 PK$NUM_PEAK: 12 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4571 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4572 111.116577148438 2635.97485351562 3.74 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4573 113.805793762207 2529.7333984375 3.59 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4574 127.086990356445 3527.62426757812 5 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4575 160.03483581543 3110.06176757812 4.41 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4576 176.903930664062 2737.58935546875 3.88 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4577 194.251007080078 2985.20288085938 4.23 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4578 200.040542602539 2946.06127929688 4.18 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4579 214.034713745117 5480.310546875 7.77 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4580 230.111846923828 3778.5263671875 5.36 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4581 269.040222167969 2981.3544921875 4.23 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4582 287.050201416016 70541.3828125 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4583 304.021636962891 2973.06982421875 4.21 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4584 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4585 RECORD_TITLE: MZ:292.1947 | RT:44.8 | grpid:346 | file:2 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4586 MS$FOCUSED_ION: PRECURSOR_M/Z 292.194651731624 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4587 AC$CHROMATOGRAPHY: RETENTION_TIME 44.7995376 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4588 XCMS groupid (grpid): 346 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4589 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4590 PK$NUM_PEAK: 17 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4591 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4592 112.08748626709 146886.8125 0.82 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4593 112.094039916992 21488.705078125 0.12 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4594 113.071746826172 19570.8203125 0.11 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4595 114.102615356445 20782.029296875 0.12 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4596 115.087265014648 22572.4765625 0.13 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4597 116.070877075195 1167010.625 6.51 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4598 118.086471557617 17936758 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4599 130.088272094727 18935.30078125 0.11 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4600 130.097534179688 535976.9375 2.99 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4601 157.108123779297 159862.4375 0.89 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4602 158.092407226562 499801.9375 2.79 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4603 173.093551635742 16882.005859375 0.09 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4604 175.118896484375 6728599.5 37.51 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4605 248.061279296875 26782.0078125 0.15 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4606 287.312866210938 15858.4033203125 0.09 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4607 303.088562011719 14864.9921875 0.08 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4608 309.474395751953 14699.423828125 0.08 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4609 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4610 RECORD_TITLE: MZ:292.1947 | RT:44.8 | grpid:346 | file:2 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4611 MS$FOCUSED_ION: PRECURSOR_M/Z 292.194651731624 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4612 AC$CHROMATOGRAPHY: RETENTION_TIME 44.7995376 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4613 XCMS groupid (grpid): 346 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4614 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4615 PK$NUM_PEAK: 17 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4616 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4617 112.08748626709 146886.8125 0.82 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4618 112.094039916992 21488.705078125 0.12 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4619 113.071746826172 19570.8203125 0.11 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4620 114.102615356445 20782.029296875 0.12 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4621 115.087265014648 22572.4765625 0.13 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4622 116.070877075195 1167010.625 6.51 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4623 118.086471557617 17936758 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4624 130.088272094727 18935.30078125 0.11 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4625 130.097534179688 535976.9375 2.99 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4626 157.108123779297 159862.4375 0.89 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4627 158.092407226562 499801.9375 2.79 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4628 173.093551635742 16882.005859375 0.09 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4629 175.118896484375 6728599.5 37.51 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4630 248.061279296875 26782.0078125 0.15 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4631 287.312866210938 15858.4033203125 0.09 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4632 303.088562011719 14864.9921875 0.08 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4633 309.474395751953 14699.423828125 0.08 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4634 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4635 RECORD_TITLE: MZ:294.1544 | RT:92.7 | grpid:350 | file:1 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4636 MS$FOCUSED_ION: PRECURSOR_M/Z 294.154362544209 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4637 AC$CHROMATOGRAPHY: RETENTION_TIME 92.725812 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4638 XCMS groupid (grpid): 350 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4639 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4640 PK$NUM_PEAK: 26 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4641 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4642 100.039722442627 12031.2099609375 2.54 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4643 100.112457275391 5225.68493652344 1.1 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4644 112.039657592773 32027.3125 6.77 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4645 127.03923034668 60730.89453125 12.83 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4646 128.107070922852 40561.765625 8.57 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4647 132.102081298828 59849.6616210938 12.65 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4648 138.054832458496 10511.0197753906 2.22 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4649 140.106895446777 12682.8193359375 2.68 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4650 143.057556152344 38482.171875 8.13 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4651 144.101852416992 66228.953125 14 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4652 145.049644470215 13456.1767578125 2.84 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4653 152.107192993164 4579.73913574219 0.97 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4654 156.065551757812 4761.87841796875 1.01 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4655 161.068344116211 44467.93359375 9.4 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4656 164.107009887695 19570.392578125 4.14 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4657 168.101737976074 17490.9350585938 3.7 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4658 170.117485046387 17648.171875 3.73 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4659 182.117607116699 6638.52709960938 1.4 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4660 194.117454528809 11721.0415039062 2.48 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4661 210.112579345703 24667.384765625 5.21 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4662 212.128082275391 115336.734375 24.38 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4663 230.138580322266 473169.375 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4664 248.148956298828 50961.2109375 10.77 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4665 258.133422851562 269774.625 57.01 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4666 276.144012451172 289220.21875 61.12 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4667 294.143478393555 9554.22521972656 2.02 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4668 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4669 RECORD_TITLE: MZ:294.1544 | RT:92.7 | grpid:350 | file:1 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4670 MS$FOCUSED_ION: PRECURSOR_M/Z 294.154362544209 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4671 AC$CHROMATOGRAPHY: RETENTION_TIME 92.725812 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4672 XCMS groupid (grpid): 350 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4673 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4674 PK$NUM_PEAK: 26 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4675 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4676 100.039722442627 12031.2099609375 2.54 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4677 100.112457275391 5225.68493652344 1.1 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4678 112.039657592773 32027.3125 6.77 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4679 127.03923034668 60730.89453125 12.83 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4680 128.107070922852 40561.765625 8.57 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4681 132.102081298828 59849.6616210938 12.65 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4682 138.054832458496 10511.0197753906 2.22 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4683 140.106895446777 12682.8193359375 2.68 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4684 143.057556152344 38482.171875 8.13 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4685 144.101852416992 66228.953125 14 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4686 145.049644470215 13456.1767578125 2.84 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4687 152.107192993164 4579.73913574219 0.97 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4688 156.065551757812 4761.87841796875 1.01 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4689 161.068344116211 44467.93359375 9.4 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4690 164.107009887695 19570.392578125 4.14 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4691 168.101737976074 17490.9350585938 3.7 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4692 170.117485046387 17648.171875 3.73 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4693 182.117607116699 6638.52709960938 1.4 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4694 194.117454528809 11721.0415039062 2.48 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4695 210.112579345703 24667.384765625 5.21 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4696 212.128082275391 115336.734375 24.38 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4697 230.138580322266 473169.375 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4698 248.148956298828 50961.2109375 10.77 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4699 258.133422851562 269774.625 57.01 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4700 276.144012451172 289220.21875 61.12 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4701 294.143478393555 9554.22521972656 2.02 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4702 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4703 RECORD_TITLE: MZ:294.1544 | RT:92.7 | grpid:350 | file:2 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4704 MS$FOCUSED_ION: PRECURSOR_M/Z 294.154362544209 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4705 AC$CHROMATOGRAPHY: RETENTION_TIME 92.725812 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4706 XCMS groupid (grpid): 350 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4707 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4708 PK$NUM_PEAK: 24 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4709 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4710 100.039489746094 6522.14233398438 1.53 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4711 100.112659454346 4946.25122070312 1.16 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4712 112.039413452148 31784.515625 7.46 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4713 116.10737991333 19017.9599609375 4.47 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4714 127.039138793945 61893.71484375 14.53 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4715 128.107276916504 55615.92578125 13.06 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4716 132.102005004883 104086 24.44 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4717 138.054862976074 11433.484375 2.68 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4718 143.057670593262 52916.5908203125 12.42 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4719 144.101867675781 65417.16796875 15.36 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4720 145.049507141113 9926.17553710938 2.33 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4721 156.065483093262 13165.115234375 3.09 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4722 161.068115234375 47137.53125 11.07 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4723 164.10718536377 25592.5 6.01 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4724 168.102005004883 14214.79296875 3.34 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4725 170.117279052734 15149.2175292969 3.56 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4726 182.11784362793 10405.2673339844 2.44 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4727 194.117576599121 10729.6823730469 2.52 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4728 210.112777709961 37187.39453125 8.73 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4729 212.128158569336 111181.453125 26.11 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4730 230.138656616211 425898.21875 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4731 248.149322509766 51917.765625 12.19 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4732 258.133483886719 255259.734375 59.93 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4733 276.143981933594 275148.625 64.6 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4734 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4735 RECORD_TITLE: MZ:294.1544 | RT:92.7 | grpid:350 | file:2 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4736 MS$FOCUSED_ION: PRECURSOR_M/Z 294.154362544209 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4737 AC$CHROMATOGRAPHY: RETENTION_TIME 92.725812 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4738 XCMS groupid (grpid): 350 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4739 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4740 PK$NUM_PEAK: 24 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4741 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4742 100.039489746094 6522.14233398438 1.53 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4743 100.112659454346 4946.25122070312 1.16 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4744 112.039413452148 31784.515625 7.46 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4745 116.10737991333 19017.9599609375 4.47 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4746 127.039138793945 61893.71484375 14.53 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4747 128.107276916504 55615.92578125 13.06 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4748 132.102005004883 104086 24.44 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4749 138.054862976074 11433.484375 2.68 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4750 143.057670593262 52916.5908203125 12.42 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4751 144.101867675781 65417.16796875 15.36 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4752 145.049507141113 9926.17553710938 2.33 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4753 156.065483093262 13165.115234375 3.09 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4754 161.068115234375 47137.53125 11.07 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4755 164.10718536377 25592.5 6.01 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4756 168.102005004883 14214.79296875 3.34 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4757 170.117279052734 15149.2175292969 3.56 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4758 182.11784362793 10405.2673339844 2.44 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4759 194.117576599121 10729.6823730469 2.52 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4760 210.112777709961 37187.39453125 8.73 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4761 212.128158569336 111181.453125 26.11 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4762 230.138656616211 425898.21875 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4763 248.149322509766 51917.765625 12.19 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4764 258.133483886719 255259.734375 59.93 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4765 276.143981933594 275148.625 64.6 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4766 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4767 RECORD_TITLE: MZ:295.1284 | RT:76.5 | grpid:353 | file:1 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4768 MS$FOCUSED_ION: PRECURSOR_M/Z 295.128370886131 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4769 AC$CHROMATOGRAPHY: RETENTION_TIME 76.520544 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4770 XCMS groupid (grpid): 353 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4771 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4772 PK$NUM_PEAK: 14 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4773 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4774 102.055305480957 141662.953125 1.78 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4775 103.047660827637 9096.5048828125 0.11 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4776 103.054672241211 264597.71875 3.33 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4777 120.08097076416 7940314 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4778 130.049926757812 186572.046875 2.35 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4779 131.049392700195 38053.90234375 0.48 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4780 138.368667602539 5218.921875 0.07 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4781 148.060348510742 534400.8125 6.73 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4782 186.091201782227 6964.56787109375 0.09 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4783 249.122787475586 20288.796875 0.26 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4784 260.092071533203 5487.70556640625 0.07 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4785 277.120513916016 6250.375 0.08 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4786 288.727630615234 5923.0712890625 0.07 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4787 295.12841796875 60264.61328125 0.76 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4788 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4789 RECORD_TITLE: MZ:295.1284 | RT:76.5 | grpid:353 | file:1 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4790 MS$FOCUSED_ION: PRECURSOR_M/Z 295.128370886131 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4791 AC$CHROMATOGRAPHY: RETENTION_TIME 76.520544 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4792 XCMS groupid (grpid): 353 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4793 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4794 PK$NUM_PEAK: 14 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4795 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4796 102.055305480957 141662.953125 1.78 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4797 103.047660827637 9096.5048828125 0.11 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4798 103.054672241211 264597.71875 3.33 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4799 120.08097076416 7940314 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4800 130.049926757812 186572.046875 2.35 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4801 131.049392700195 38053.90234375 0.48 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4802 138.368667602539 5218.921875 0.07 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4803 148.060348510742 534400.8125 6.73 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4804 186.091201782227 6964.56787109375 0.09 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4805 249.122787475586 20288.796875 0.26 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4806 260.092071533203 5487.70556640625 0.07 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4807 277.120513916016 6250.375 0.08 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4808 288.727630615234 5923.0712890625 0.07 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4809 295.12841796875 60264.61328125 0.76 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4810 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4811 RECORD_TITLE: MZ:295.1284 | RT:76.5 | grpid:353 | file:2 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4812 MS$FOCUSED_ION: PRECURSOR_M/Z 295.128370886131 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4813 AC$CHROMATOGRAPHY: RETENTION_TIME 76.520544 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4814 XCMS groupid (grpid): 353 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4815 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4816 PK$NUM_PEAK: 12 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4817 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4818 102.055358886719 142350.5625 1.73 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4819 103.047714233398 7654.904296875 0.09 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4820 103.054664611816 271591.96875 3.3 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4821 120.080993652344 8218329 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4822 130.049957275391 210526.734375 2.56 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4823 131.049209594727 34446.6640625 0.42 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4824 148.060363769531 533971.5625 6.5 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4825 148.891082763672 5547.021484375 0.07 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4826 177.852951049805 5688.75244140625 0.07 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4827 249.123413085938 14290.17578125 0.17 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4828 256.870849609375 6559.6240234375 0.08 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4829 295.129028320312 57312.61328125 0.7 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4830 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4831 RECORD_TITLE: MZ:295.1284 | RT:76.5 | grpid:353 | file:2 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4832 MS$FOCUSED_ION: PRECURSOR_M/Z 295.128370886131 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4833 AC$CHROMATOGRAPHY: RETENTION_TIME 76.520544 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4834 XCMS groupid (grpid): 353 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4835 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4836 PK$NUM_PEAK: 12 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4837 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4838 102.055358886719 142350.5625 1.73 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4839 103.047714233398 7654.904296875 0.09 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4840 103.054664611816 271591.96875 3.3 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4841 120.080993652344 8218329 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4842 130.049957275391 210526.734375 2.56 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4843 131.049209594727 34446.6640625 0.42 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4844 148.060363769531 533971.5625 6.5 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4845 148.891082763672 5547.021484375 0.07 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4846 177.852951049805 5688.75244140625 0.07 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4847 249.123413085938 14290.17578125 0.17 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4848 256.870849609375 6559.6240234375 0.08 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4849 295.129028320312 57312.61328125 0.7 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4850 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4851 RECORD_TITLE: MZ:296.0658 | RT:42.4 | grpid:354 | file:1 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4852 MS$FOCUSED_ION: PRECURSOR_M/Z 296.065756003644 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4853 AC$CHROMATOGRAPHY: RETENTION_TIME 42.4292958 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4854 XCMS groupid (grpid): 354 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4855 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4856 PK$NUM_PEAK: 44 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4857 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4858 104.107498168945 63030.7290039062 53.86 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4859 110.071670532227 76296.015625 65.19 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4860 115.257781982422 2642.28344726562 2.26 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4861 118.906105041504 2871.60009765625 2.45 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4862 120.003547668457 6084.94970703125 5.2 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4863 123.053253173828 3333.92529296875 2.85 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4864 124.03678894043 3061.91870117188 2.62 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4865 128.03190612793 11512.23828125 9.84 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4866 130.049224853516 2935.35913085938 2.51 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4867 133.762710571289 3047.94458007812 2.6 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4868 134.018844604492 117029.3671875 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4869 136.075790405273 21574.76171875 18.44 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4870 136.085235595703 3742.28735351562 3.2 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4871 137.079330444336 24230.166015625 20.7 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4872 151.047866821289 28315.765625 24.2 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4873 151.084808349609 5592.81689453125 4.78 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4874 152.031631469727 37479.58203125 32.03 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4875 156.077331542969 11290.4443359375 9.65 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4876 164.930252075195 31731.31640625 27.11 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4877 169.058502197266 35980.2578125 30.74 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4878 169.094802856445 6438.44775390625 5.5 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4879 169.885345458984 2605.5 2.23 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4880 170.042297363281 3210.34887695312 2.74 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4881 170.32341003418 2779.20581054688 2.37 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4882 177.031875610352 2798.62231445312 2.39 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4883 178.946014404297 3806.83520507812 3.25 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4884 180.001739501953 3170.61328125 2.71 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4885 180.903701782227 14680.2548828125 12.54 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4886 181.108383178711 12241.56640625 10.46 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4887 191.078903198242 3137.82885742188 2.68 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4888 196.959823608398 2773.84155273438 2.37 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4889 209.103637695312 5807.6396484375 4.96 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4890 211.106033325195 3517.22680664062 3.01 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4891 229.981872558594 2980.67016601562 2.55 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4892 238.989120483398 22953.4921875 19.61 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4893 253.079711914062 4649.15576171875 3.97 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4894 263.061492919922 3608.7255859375 3.08 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4895 274.146240234375 3613.0380859375 3.09 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4896 280.090270996094 10559.1611328125 9.02 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4897 280.127960205078 4497.24267578125 3.84 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4898 281.073272705078 3693.57568359375 3.16 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4899 298.067657470703 6471.38916015625 5.53 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4900 298.096527099609 23370.763671875 19.97 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4901 298.135314941406 24276.166015625 20.74 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4902 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4903 RECORD_TITLE: MZ:296.0658 | RT:42.4 | grpid:354 | file:1 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4904 MS$FOCUSED_ION: PRECURSOR_M/Z 296.065756003644 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4905 AC$CHROMATOGRAPHY: RETENTION_TIME 42.4292958 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4906 XCMS groupid (grpid): 354 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4907 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4908 PK$NUM_PEAK: 44 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4909 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4910 104.107498168945 63030.7290039062 53.86 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4911 110.071670532227 76296.015625 65.19 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4912 115.257781982422 2642.28344726562 2.26 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4913 118.906105041504 2871.60009765625 2.45 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4914 120.003547668457 6084.94970703125 5.2 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4915 123.053253173828 3333.92529296875 2.85 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4916 124.03678894043 3061.91870117188 2.62 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4917 128.03190612793 11512.23828125 9.84 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4918 130.049224853516 2935.35913085938 2.51 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4919 133.762710571289 3047.94458007812 2.6 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4920 134.018844604492 117029.3671875 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4921 136.075790405273 21574.76171875 18.44 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4922 136.085235595703 3742.28735351562 3.2 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4923 137.079330444336 24230.166015625 20.7 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4924 151.047866821289 28315.765625 24.2 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4925 151.084808349609 5592.81689453125 4.78 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4926 152.031631469727 37479.58203125 32.03 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4927 156.077331542969 11290.4443359375 9.65 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4928 164.930252075195 31731.31640625 27.11 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4929 169.058502197266 35980.2578125 30.74 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4930 169.094802856445 6438.44775390625 5.5 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4931 169.885345458984 2605.5 2.23 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4932 170.042297363281 3210.34887695312 2.74 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4933 170.32341003418 2779.20581054688 2.37 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4934 177.031875610352 2798.62231445312 2.39 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4935 178.946014404297 3806.83520507812 3.25 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4936 180.001739501953 3170.61328125 2.71 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4937 180.903701782227 14680.2548828125 12.54 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4938 181.108383178711 12241.56640625 10.46 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4939 191.078903198242 3137.82885742188 2.68 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4940 196.959823608398 2773.84155273438 2.37 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4941 209.103637695312 5807.6396484375 4.96 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4942 211.106033325195 3517.22680664062 3.01 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4943 229.981872558594 2980.67016601562 2.55 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4944 238.989120483398 22953.4921875 19.61 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4945 253.079711914062 4649.15576171875 3.97 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4946 263.061492919922 3608.7255859375 3.08 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4947 274.146240234375 3613.0380859375 3.09 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4948 280.090270996094 10559.1611328125 9.02 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4949 280.127960205078 4497.24267578125 3.84 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4950 281.073272705078 3693.57568359375 3.16 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4951 298.067657470703 6471.38916015625 5.53 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4952 298.096527099609 23370.763671875 19.97 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4953 298.135314941406 24276.166015625 20.74 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4954 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4955 RECORD_TITLE: MZ:296.0658 | RT:42.4 | grpid:354 | file:2 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4956 MS$FOCUSED_ION: PRECURSOR_M/Z 296.065756003644 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4957 AC$CHROMATOGRAPHY: RETENTION_TIME 42.4292958 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4958 XCMS groupid (grpid): 354 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4959 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4960 PK$NUM_PEAK: 36 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4961 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4962 102.501098632812 2634.53149414062 0.88 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4963 103.752471923828 3372.3203125 1.13 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4964 104.107360839844 41061.3452148438 13.78 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4965 104.779418945312 2619.09838867188 0.88 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4966 105.110206604004 4535.83447265625 1.52 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4967 110.07152557373 26736.4453125 8.97 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4968 116.04727935791 24896.80078125 8.35 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4969 119.049240112305 42550.78515625 14.28 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4970 120.003631591797 12038.4755859375 4.04 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4971 121.065811157227 4205.6630859375 1.41 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4972 123.053741455078 3649.71142578125 1.22 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4973 124.959274291992 3187.64526367188 1.07 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4974 134.018905639648 95404.9453125 32.01 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4975 136.075759887695 298005.65625 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4976 151.04768371582 45033.75 15.11 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4977 151.083587646484 11767.1416015625 3.95 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4978 152.031875610352 34158.91796875 11.46 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4979 160.036758422852 33066.51953125 11.1 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4980 164.930053710938 26157.40234375 8.78 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4981 168.170883178711 2864.22802734375 0.96 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4982 169.058334350586 41951.765625 14.08 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4983 169.094284057617 5771.51220703125 1.94 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4984 180.001739501953 3173.91796875 1.07 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4985 180.904067993164 15171.927734375 5.09 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4986 197.080413818359 3280.55688476562 1.1 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4987 229.070083618164 5290.5830078125 1.78 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4988 233.934051513672 3479.39086914062 1.17 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4989 235.103302001953 3239.46142578125 1.09 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4990 238.991271972656 14557.9658203125 4.89 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4991 253.078491210938 6074.93798828125 2.04 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4992 280.08935546875 5121.08447265625 1.72 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4993 281.074127197266 13575.4345703125 4.56 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4994 297.119445800781 5748.119140625 1.93 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4995 298.067443847656 8395.75 2.82 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4996 298.100677490234 33910.890625 11.38 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4997 298.133453369141 5547.06982421875 1.86 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4998 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4999 RECORD_TITLE: MZ:296.0658 | RT:42.4 | grpid:354 | file:2 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5000 MS$FOCUSED_ION: PRECURSOR_M/Z 296.065756003644 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5001 AC$CHROMATOGRAPHY: RETENTION_TIME 42.4292958 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5002 XCMS groupid (grpid): 354 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5003 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5004 PK$NUM_PEAK: 36 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5005 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5006 102.501098632812 2634.53149414062 0.88 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5007 103.752471923828 3372.3203125 1.13 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5008 104.107360839844 41061.3452148438 13.78 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5009 104.779418945312 2619.09838867188 0.88 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5010 105.110206604004 4535.83447265625 1.52 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5011 110.07152557373 26736.4453125 8.97 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5012 116.04727935791 24896.80078125 8.35 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5013 119.049240112305 42550.78515625 14.28 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5014 120.003631591797 12038.4755859375 4.04 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5015 121.065811157227 4205.6630859375 1.41 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5016 123.053741455078 3649.71142578125 1.22 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5017 124.959274291992 3187.64526367188 1.07 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5018 134.018905639648 95404.9453125 32.01 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5019 136.075759887695 298005.65625 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5020 151.04768371582 45033.75 15.11 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5021 151.083587646484 11767.1416015625 3.95 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5022 152.031875610352 34158.91796875 11.46 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5023 160.036758422852 33066.51953125 11.1 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5024 164.930053710938 26157.40234375 8.78 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5025 168.170883178711 2864.22802734375 0.96 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5026 169.058334350586 41951.765625 14.08 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5027 169.094284057617 5771.51220703125 1.94 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5028 180.001739501953 3173.91796875 1.07 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5029 180.904067993164 15171.927734375 5.09 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5030 197.080413818359 3280.55688476562 1.1 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5031 229.070083618164 5290.5830078125 1.78 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5032 233.934051513672 3479.39086914062 1.17 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5033 235.103302001953 3239.46142578125 1.09 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5034 238.991271972656 14557.9658203125 4.89 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5035 253.078491210938 6074.93798828125 2.04 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5036 280.08935546875 5121.08447265625 1.72 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5037 281.074127197266 13575.4345703125 4.56 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5038 297.119445800781 5748.119140625 1.93 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5039 298.067443847656 8395.75 2.82 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5040 298.100677490234 33910.890625 11.38 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5041 298.133453369141 5547.06982421875 1.86 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5042 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5043 RECORD_TITLE: MZ:302.1706 | RT:88.9 | grpid:369 | file:1 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5044 MS$FOCUSED_ION: PRECURSOR_M/Z 302.170645577843 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5045 AC$CHROMATOGRAPHY: RETENTION_TIME 88.866054 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5046 XCMS groupid (grpid): 369 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5047 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5048 PK$NUM_PEAK: 20 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5049 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5050 111.092044830322 3689.33081054688 1.1 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5051 114.091567993164 2964.439453125 0.88 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5052 116.070892333984 336741.171875 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5053 144.715606689453 2890.23486328125 0.86 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5054 146.728607177734 3216.869140625 0.96 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5055 157.096328735352 2906.3671875 0.86 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5056 159.112663269043 52682.78515625 15.64 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5057 161.510787963867 2920.07788085938 0.87 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5058 167.081085205078 4721.88037109375 1.4 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5059 167.082427978516 3902.92211914062 1.16 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5060 171.076644897461 5985.89404296875 1.78 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5061 185.092575073242 9461.61889648438 2.81 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5062 185.409088134766 2896.890625 0.86 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5063 187.107749938965 19301.447265625 5.73 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5064 188.189697265625 3081.72094726562 0.92 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5065 189.086227416992 25625.54296875 7.61 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5066 203.102439880371 95567.90234375 28.38 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5067 213.087356567383 9628.05590820312 2.86 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5068 269.900512695312 3120.37036132812 0.93 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5069 284.158935546875 3037.86303710938 0.9 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5070 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5071 RECORD_TITLE: MZ:302.1706 | RT:88.9 | grpid:369 | file:1 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5072 MS$FOCUSED_ION: PRECURSOR_M/Z 302.170645577843 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5073 AC$CHROMATOGRAPHY: RETENTION_TIME 88.866054 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5074 XCMS groupid (grpid): 369 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5075 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5076 PK$NUM_PEAK: 20 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5077 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5078 111.092044830322 3689.33081054688 1.1 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5079 114.091567993164 2964.439453125 0.88 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5080 116.070892333984 336741.171875 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5081 144.715606689453 2890.23486328125 0.86 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5082 146.728607177734 3216.869140625 0.96 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5083 157.096328735352 2906.3671875 0.86 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5084 159.112663269043 52682.78515625 15.64 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5085 161.510787963867 2920.07788085938 0.87 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5086 167.081085205078 4721.88037109375 1.4 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5087 167.082427978516 3902.92211914062 1.16 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5088 171.076644897461 5985.89404296875 1.78 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5089 185.092575073242 9461.61889648438 2.81 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5090 185.409088134766 2896.890625 0.86 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5091 187.107749938965 19301.447265625 5.73 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5092 188.189697265625 3081.72094726562 0.92 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5093 189.086227416992 25625.54296875 7.61 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5094 203.102439880371 95567.90234375 28.38 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5095 213.087356567383 9628.05590820312 2.86 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5096 269.900512695312 3120.37036132812 0.93 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5097 284.158935546875 3037.86303710938 0.9 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5098 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5099 RECORD_TITLE: MZ:302.1706 | RT:88.9 | grpid:369 | file:2 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5100 MS$FOCUSED_ION: PRECURSOR_M/Z 302.170645577843 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5101 AC$CHROMATOGRAPHY: RETENTION_TIME 88.866054 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5102 XCMS groupid (grpid): 369 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5103 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5104 PK$NUM_PEAK: 20 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5105 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5106 106.602005004883 2616.6298828125 0.82 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5107 107.888076782227 2649.7861328125 0.83 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5108 111.537490844727 2589.2255859375 0.81 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5109 116.070934295654 320821.4296875 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5110 120.955596923828 2879.787109375 0.9 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5111 123.994163513184 2919.2646484375 0.91 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5112 128.070510864258 3172.29931640625 0.99 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5113 144.969955444336 3509.31982421875 1.09 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5114 159.112831115723 48750.03515625 15.2 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5115 163.092956542969 2640.06762695312 0.82 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5116 167.081634521484 3563.13989257812 1.11 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5117 171.076034545898 2725.41967773438 0.85 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5118 185.092407226562 8112.4453125 2.53 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5119 187.108116149902 21725.3291015625 6.77 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5120 189.086410522461 20154.86328125 6.28 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5121 203.102752685547 83764.61328125 26.11 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5122 207.951904296875 2900.83618164062 0.9 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5123 213.085845947266 4722.02392578125 1.47 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5124 213.087280273438 3746.56909179688 1.17 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5125 218.32536315918 3366.72143554688 1.05 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5126 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5127 RECORD_TITLE: MZ:302.1706 | RT:88.9 | grpid:369 | file:2 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5128 MS$FOCUSED_ION: PRECURSOR_M/Z 302.170645577843 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5129 AC$CHROMATOGRAPHY: RETENTION_TIME 88.866054 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5130 XCMS groupid (grpid): 369 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5131 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5132 PK$NUM_PEAK: 20 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5133 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5134 106.602005004883 2616.6298828125 0.82 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5135 107.888076782227 2649.7861328125 0.83 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5136 111.537490844727 2589.2255859375 0.81 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5137 116.070934295654 320821.4296875 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5138 120.955596923828 2879.787109375 0.9 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5139 123.994163513184 2919.2646484375 0.91 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5140 128.070510864258 3172.29931640625 0.99 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5141 144.969955444336 3509.31982421875 1.09 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5142 159.112831115723 48750.03515625 15.2 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5143 163.092956542969 2640.06762695312 0.82 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5144 167.081634521484 3563.13989257812 1.11 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5145 171.076034545898 2725.41967773438 0.85 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5146 185.092407226562 8112.4453125 2.53 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5147 187.108116149902 21725.3291015625 6.77 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5148 189.086410522461 20154.86328125 6.28 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5149 203.102752685547 83764.61328125 26.11 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5150 207.951904296875 2900.83618164062 0.9 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5151 213.085845947266 4722.02392578125 1.47 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5152 213.087280273438 3746.56909179688 1.17 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5153 218.32536315918 3366.72143554688 1.05 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5154 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5155 RECORD_TITLE: MZ:303.1651 | RT:61.4 | grpid:373 | file:1 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5156 MS$FOCUSED_ION: PRECURSOR_M/Z 303.165091499144 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5157 AC$CHROMATOGRAPHY: RETENTION_TIME 61.39704 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5158 XCMS groupid (grpid): 373 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5159 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5160 PK$NUM_PEAK: 22 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5161 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5162 101.071479797363 17822.0859375 15.54 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5163 110.024024963379 15201.4501953125 13.26 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5164 124.03946685791 13353.3503417969 11.64 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5165 127.050182342529 8833.57104492188 7.7 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5166 129.102653503418 12090.6684570312 10.54 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5167 138.091461181641 14730.0942382812 12.84 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5168 141.065780639648 19658.943359375 17.14 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5169 141.10228729248 35091.9375 30.6 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5170 143.118049621582 114683.799316406 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5171 155.045127868652 7941.7431640625 6.92 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5172 155.117874145508 7368.30798339844 6.42 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5173 158.092620849609 18440.1302490234 16.08 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5174 169.060989379883 6376.5634765625 5.56 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5175 171.112854003906 12748.3640136719 11.12 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5176 172.072105407715 10276.8901367188 8.96 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5177 182.129089355469 41506.6447753906 36.19 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5178 183.113006591797 77941.12890625 67.96 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5179 186.087425231934 9323.60034179688 8.13 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5180 199.107467651367 10361.0107421875 9.03 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5181 200.139541625977 11040.3430175781 9.63 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5182 211.108421325684 14805.8862304688 12.91 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5183 223.107292175293 15609.9038085938 13.61 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5184 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5185 RECORD_TITLE: MZ:303.1651 | RT:61.4 | grpid:373 | file:1 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5186 MS$FOCUSED_ION: PRECURSOR_M/Z 303.165091499144 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5187 AC$CHROMATOGRAPHY: RETENTION_TIME 61.39704 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5188 XCMS groupid (grpid): 373 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5189 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5190 PK$NUM_PEAK: 22 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5191 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5192 101.071479797363 17822.0859375 15.54 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5193 110.024024963379 15201.4501953125 13.26 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5194 124.03946685791 13353.3503417969 11.64 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5195 127.050182342529 8833.57104492188 7.7 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5196 129.102653503418 12090.6684570312 10.54 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5197 138.091461181641 14730.0942382812 12.84 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5198 141.065780639648 19658.943359375 17.14 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5199 141.10228729248 35091.9375 30.6 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5200 143.118049621582 114683.799316406 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5201 155.045127868652 7941.7431640625 6.92 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5202 155.117874145508 7368.30798339844 6.42 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5203 158.092620849609 18440.1302490234 16.08 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5204 169.060989379883 6376.5634765625 5.56 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5205 171.112854003906 12748.3640136719 11.12 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5206 172.072105407715 10276.8901367188 8.96 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5207 182.129089355469 41506.6447753906 36.19 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5208 183.113006591797 77941.12890625 67.96 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5209 186.087425231934 9323.60034179688 8.13 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5210 199.107467651367 10361.0107421875 9.03 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5211 200.139541625977 11040.3430175781 9.63 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5212 211.108421325684 14805.8862304688 12.91 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5213 223.107292175293 15609.9038085938 13.61 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5214 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5215 RECORD_TITLE: MZ:303.1651 | RT:61.4 | grpid:373 | file:2 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5216 MS$FOCUSED_ION: PRECURSOR_M/Z 303.165091499144 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5217 AC$CHROMATOGRAPHY: RETENTION_TIME 61.39704 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5218 XCMS groupid (grpid): 373 |
|
fc9bb7e49a3a
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 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5220 PK$NUM_PEAK: 41 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5221 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5222 101.071395874023 18300.72265625 14.83 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5223 110.023971557617 88799.8046875 71.98 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5224 110.071678161621 4078.85327148438 3.31 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5225 113.108039855957 4713.57666015625 3.82 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5226 124.075775146484 4389.90283203125 3.56 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5227 127.050109863281 4293.4560546875 3.48 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5228 129.065963745117 4180.9111328125 3.39 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5229 129.102508544922 11941.1533203125 9.68 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5230 130.049957275391 123366.5 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5231 131.045059204102 29113.298828125 23.6 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5232 131.118392944336 12747.1845703125 10.33 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5233 138.091598510742 18277.814453125 14.82 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5234 141.065948486328 7267.92138671875 5.89 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5235 141.102569580078 16653.923828125 13.5 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5236 147.076400756836 62051.40625 50.3 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5237 152.033843994141 5171.01904296875 4.19 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5238 152.070327758789 4126.0048828125 3.34 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5239 155.045593261719 5225.84326171875 4.24 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5240 155.118270874023 7250.77001953125 5.88 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5241 156.029037475586 113651.671875 92.13 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5242 157.097305297852 11774.015625 9.54 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5243 169.060745239258 11740.919921875 9.52 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5244 169.234603881836 2946.80346679688 2.39 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5245 170.044723510742 57504.55078125 46.61 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5246 172.071853637695 12358.83984375 10.02 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5247 173.055679321289 109214.0390625 88.53 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5248 182.128372192383 23088.28125 18.72 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5249 183.112823486328 70923.25 57.49 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5250 186.08821105957 6221.98974609375 5.04 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5251 187.071319580078 66795.359375 54.14 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5252 190.082260131836 98184.53125 79.59 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5253 199.106979370117 6042.24609375 4.9 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5254 200.140121459961 12713.0029296875 10.31 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5255 204.097839355469 68957.71875 55.9 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5256 211.107452392578 22775.44140625 18.46 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5257 224.080169677734 4738.3037109375 3.84 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5258 226.79020690918 3202.00537109375 2.6 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5259 228.13493347168 14781.4248046875 11.98 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5260 258.145233154297 13773.197265625 11.16 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5261 261.076416015625 4368.72607421875 3.54 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5262 285.155242919922 5692.4150390625 4.61 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5263 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5264 RECORD_TITLE: MZ:303.1651 | RT:61.4 | grpid:373 | file:2 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5265 MS$FOCUSED_ION: PRECURSOR_M/Z 303.165091499144 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5266 AC$CHROMATOGRAPHY: RETENTION_TIME 61.39704 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5267 XCMS groupid (grpid): 373 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5268 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5269 PK$NUM_PEAK: 41 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5270 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5271 101.071395874023 18300.72265625 14.83 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5272 110.023971557617 88799.8046875 71.98 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5273 110.071678161621 4078.85327148438 3.31 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5274 113.108039855957 4713.57666015625 3.82 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5275 124.075775146484 4389.90283203125 3.56 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5276 127.050109863281 4293.4560546875 3.48 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5277 129.065963745117 4180.9111328125 3.39 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5278 129.102508544922 11941.1533203125 9.68 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5279 130.049957275391 123366.5 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5280 131.045059204102 29113.298828125 23.6 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5281 131.118392944336 12747.1845703125 10.33 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5282 138.091598510742 18277.814453125 14.82 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5283 141.065948486328 7267.92138671875 5.89 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5284 141.102569580078 16653.923828125 13.5 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5285 147.076400756836 62051.40625 50.3 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5286 152.033843994141 5171.01904296875 4.19 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5287 152.070327758789 4126.0048828125 3.34 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5288 155.045593261719 5225.84326171875 4.24 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5289 155.118270874023 7250.77001953125 5.88 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5290 156.029037475586 113651.671875 92.13 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5291 157.097305297852 11774.015625 9.54 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5292 169.060745239258 11740.919921875 9.52 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5293 169.234603881836 2946.80346679688 2.39 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5294 170.044723510742 57504.55078125 46.61 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5295 172.071853637695 12358.83984375 10.02 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5296 173.055679321289 109214.0390625 88.53 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5297 182.128372192383 23088.28125 18.72 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5298 183.112823486328 70923.25 57.49 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5299 186.08821105957 6221.98974609375 5.04 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5300 187.071319580078 66795.359375 54.14 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5301 190.082260131836 98184.53125 79.59 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5302 199.106979370117 6042.24609375 4.9 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5303 200.140121459961 12713.0029296875 10.31 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5304 204.097839355469 68957.71875 55.9 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5305 211.107452392578 22775.44140625 18.46 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5306 224.080169677734 4738.3037109375 3.84 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5307 226.79020690918 3202.00537109375 2.6 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5308 228.13493347168 14781.4248046875 11.98 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5309 258.145233154297 13773.197265625 11.16 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5310 261.076416015625 4368.72607421875 3.54 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5311 285.155242919922 5692.4150390625 4.61 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5312 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5313 RECORD_TITLE: MZ:306.1653 | RT:60.6 | grpid:379 | file:1 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5314 MS$FOCUSED_ION: PRECURSOR_M/Z 306.165343359271 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5315 AC$CHROMATOGRAPHY: RETENTION_TIME 60.634806 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5316 XCMS groupid (grpid): 379 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5317 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5318 PK$NUM_PEAK: 27 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5319 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5320 102.055488586426 3576.6201171875 2.29 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5321 106.050354003906 46062.7578125 29.46 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5322 114.09162902832 24265.951171875 15.52 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5323 116.034889221191 3464.34204101562 2.22 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5324 116.070938110352 47780.54296875 30.56 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5325 118.086624145508 18764.42578125 12 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5326 120.065841674805 5843.3857421875 3.74 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5327 125.10701751709 6236.45361328125 3.99 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5328 143.081573486328 16498.578125 10.55 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5329 145.061111450195 4047.91162109375 2.59 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5330 155.11897277832 3734.548828125 2.39 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5331 157.060852050781 18543.07421875 11.86 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5332 159.112808227539 156353.765625 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5333 161.092071533203 46908.3671875 30 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5334 173.128387451172 70398.625 45.03 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5335 175.071090698242 33748.87890625 21.58 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5336 183.11262512207 4677.25048828125 2.99 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5337 187.107650756836 12120.2392578125 7.75 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5338 189.086807250977 20967.38671875 13.41 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5339 193.081909179688 63796.453125 40.8 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5340 201.123672485352 34563.19140625 22.11 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5341 205.117584228516 26845.326171875 17.17 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5342 208.270767211914 3350.55541992188 2.14 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5343 255.378860473633 3034.83129882812 1.94 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5344 276.966583251953 3468.1474609375 2.22 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5345 304.058044433594 3342.54663085938 2.14 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5346 304.39501953125 3399.11840820312 2.17 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5347 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5348 RECORD_TITLE: MZ:306.1653 | RT:60.6 | grpid:379 | file:1 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5349 MS$FOCUSED_ION: PRECURSOR_M/Z 306.165343359271 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5350 AC$CHROMATOGRAPHY: RETENTION_TIME 60.634806 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5351 XCMS groupid (grpid): 379 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5352 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5353 PK$NUM_PEAK: 27 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5354 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5355 102.055488586426 3576.6201171875 2.29 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5356 106.050354003906 46062.7578125 29.46 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5357 114.09162902832 24265.951171875 15.52 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5358 116.034889221191 3464.34204101562 2.22 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5359 116.070938110352 47780.54296875 30.56 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5360 118.086624145508 18764.42578125 12 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5361 120.065841674805 5843.3857421875 3.74 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5362 125.10701751709 6236.45361328125 3.99 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5363 143.081573486328 16498.578125 10.55 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5364 145.061111450195 4047.91162109375 2.59 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5365 155.11897277832 3734.548828125 2.39 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5366 157.060852050781 18543.07421875 11.86 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5367 159.112808227539 156353.765625 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5368 161.092071533203 46908.3671875 30 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5369 173.128387451172 70398.625 45.03 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5370 175.071090698242 33748.87890625 21.58 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5371 183.11262512207 4677.25048828125 2.99 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5372 187.107650756836 12120.2392578125 7.75 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5373 189.086807250977 20967.38671875 13.41 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5374 193.081909179688 63796.453125 40.8 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5375 201.123672485352 34563.19140625 22.11 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5376 205.117584228516 26845.326171875 17.17 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5377 208.270767211914 3350.55541992188 2.14 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5378 255.378860473633 3034.83129882812 1.94 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5379 276.966583251953 3468.1474609375 2.22 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5380 304.058044433594 3342.54663085938 2.14 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5381 304.39501953125 3399.11840820312 2.17 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5382 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5383 RECORD_TITLE: MZ:306.1653 | RT:60.6 | grpid:379 | file:2 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5384 MS$FOCUSED_ION: PRECURSOR_M/Z 306.165343359271 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5385 AC$CHROMATOGRAPHY: RETENTION_TIME 60.634806 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5386 XCMS groupid (grpid): 379 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5387 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5388 PK$NUM_PEAK: 25 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5389 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5390 106.050323486328 74894.4453125 61.29 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5391 112.64949798584 2889.20166015625 2.36 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5392 116.070846557617 37102.015625 30.36 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5393 118.086418151855 6624.6845703125 5.42 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5394 125.107727050781 4460.64892578125 3.65 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5395 143.081680297852 16651.744140625 13.63 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5396 155.118011474609 5382.689453125 4.41 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5397 157.061019897461 29957.42578125 24.52 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5398 159.113739013672 3697.47241210938 3.03 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5399 161.092239379883 22938.021484375 18.77 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5400 166.177749633789 2888.244140625 2.36 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5401 171.077407836914 4816.36328125 3.94 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5402 173.128509521484 108080.40625 88.45 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5403 175.071166992188 53143.015625 43.49 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5404 183.112609863281 5233.77685546875 4.28 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5405 189.08740234375 17957.861328125 14.7 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5406 193.082046508789 122190.5546875 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5407 198.921890258789 3008.00170898438 2.46 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5408 201.122833251953 43605.234375 35.69 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5409 202.244415283203 3381.41357421875 2.77 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5410 205.118576049805 14258.4404296875 11.67 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5411 207.097396850586 3845.00024414062 3.15 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5412 219.135238647461 3163.32836914062 2.59 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5413 270.143188476562 3606.33642578125 2.95 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5414 309.902038574219 3108.3212890625 2.54 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5415 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5416 RECORD_TITLE: MZ:306.1653 | RT:60.6 | grpid:379 | file:2 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5417 MS$FOCUSED_ION: PRECURSOR_M/Z 306.165343359271 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5418 AC$CHROMATOGRAPHY: RETENTION_TIME 60.634806 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5419 XCMS groupid (grpid): 379 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5420 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5421 PK$NUM_PEAK: 25 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5422 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5423 106.050323486328 74894.4453125 61.29 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5424 112.64949798584 2889.20166015625 2.36 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5425 116.070846557617 37102.015625 30.36 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5426 118.086418151855 6624.6845703125 5.42 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5427 125.107727050781 4460.64892578125 3.65 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5428 143.081680297852 16651.744140625 13.63 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5429 155.118011474609 5382.689453125 4.41 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5430 157.061019897461 29957.42578125 24.52 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5431 159.113739013672 3697.47241210938 3.03 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5432 161.092239379883 22938.021484375 18.77 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5433 166.177749633789 2888.244140625 2.36 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5434 171.077407836914 4816.36328125 3.94 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5435 173.128509521484 108080.40625 88.45 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5436 175.071166992188 53143.015625 43.49 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5437 183.112609863281 5233.77685546875 4.28 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5438 189.08740234375 17957.861328125 14.7 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5439 193.082046508789 122190.5546875 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5440 198.921890258789 3008.00170898438 2.46 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5441 201.122833251953 43605.234375 35.69 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5442 202.244415283203 3381.41357421875 2.77 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5443 205.118576049805 14258.4404296875 11.67 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5444 207.097396850586 3845.00024414062 3.15 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5445 219.135238647461 3163.32836914062 2.59 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5446 270.143188476562 3606.33642578125 2.95 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5447 309.902038574219 3108.3212890625 2.54 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5448 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5449 RECORD_TITLE: MZ:307.0652 | RT:83.4 | grpid:381 | file:1 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5450 MS$FOCUSED_ION: PRECURSOR_M/Z 307.065221870812 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5451 AC$CHROMATOGRAPHY: RETENTION_TIME 83.441172 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5452 XCMS groupid (grpid): 381 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5453 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5454 PK$NUM_PEAK: 9 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5455 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5456 133.049545288086 5159.76806640625 0.38 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5457 155.031463623047 6253.12939453125 0.46 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5458 156.391296386719 3223.2578125 0.24 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5459 174.132141113281 6437.02978515625 0.47 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5460 175.02262878418 1363466.75 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5461 193.032424926758 3446.2578125 0.25 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5462 193.298492431641 2871.95751953125 0.21 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5463 216.04899597168 22096.67578125 1.62 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5464 307.064575195312 124718.9375 9.15 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5465 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5466 RECORD_TITLE: MZ:307.0652 | RT:83.4 | grpid:381 | file:1 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5467 MS$FOCUSED_ION: PRECURSOR_M/Z 307.065221870812 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5468 AC$CHROMATOGRAPHY: RETENTION_TIME 83.441172 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5469 XCMS groupid (grpid): 381 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5470 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5471 PK$NUM_PEAK: 9 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5472 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5473 133.049545288086 5159.76806640625 0.38 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5474 155.031463623047 6253.12939453125 0.46 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5475 156.391296386719 3223.2578125 0.24 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5476 174.132141113281 6437.02978515625 0.47 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5477 175.02262878418 1363466.75 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5478 193.032424926758 3446.2578125 0.25 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5479 193.298492431641 2871.95751953125 0.21 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5480 216.04899597168 22096.67578125 1.62 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5481 307.064575195312 124718.9375 9.15 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5482 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5483 RECORD_TITLE: MZ:307.0652 | RT:83.4 | grpid:381 | file:2 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5484 MS$FOCUSED_ION: PRECURSOR_M/Z 307.065221870812 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5485 AC$CHROMATOGRAPHY: RETENTION_TIME 83.441172 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5486 XCMS groupid (grpid): 381 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5487 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5488 PK$NUM_PEAK: 10 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5489 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5490 118.766929626465 2792.95947265625 0.22 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5491 133.049179077148 4814.24609375 0.39 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5492 155.032363891602 3902.88134765625 0.31 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5493 173.128509521484 4659.6298828125 0.37 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5494 174.131713867188 16377.5361328125 1.32 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5495 175.022659301758 1243427.75 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5496 194.809097290039 2825.58129882812 0.23 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5497 216.04899597168 16765.642578125 1.35 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5498 294.689575195312 3187.49096679688 0.26 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5499 307.065185546875 100591.7265625 8.09 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5500 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5501 RECORD_TITLE: MZ:307.0652 | RT:83.4 | grpid:381 | file:2 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5502 MS$FOCUSED_ION: PRECURSOR_M/Z 307.065221870812 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5503 AC$CHROMATOGRAPHY: RETENTION_TIME 83.441172 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5504 XCMS groupid (grpid): 381 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5505 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5506 PK$NUM_PEAK: 10 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5507 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5508 118.766929626465 2792.95947265625 0.22 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5509 133.049179077148 4814.24609375 0.39 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5510 155.032363891602 3902.88134765625 0.31 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5511 173.128509521484 4659.6298828125 0.37 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5512 174.131713867188 16377.5361328125 1.32 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5513 175.022659301758 1243427.75 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5514 194.809097290039 2825.58129882812 0.23 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5515 216.04899597168 16765.642578125 1.35 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5516 294.689575195312 3187.49096679688 0.26 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5517 307.065185546875 100591.7265625 8.09 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5518 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5519 RECORD_TITLE: MZ:310.1362 | RT:64.4 | grpid:390 | file:1 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5520 MS$FOCUSED_ION: PRECURSOR_M/Z 310.136154574354 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5521 AC$CHROMATOGRAPHY: RETENTION_TIME 64.427298 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5522 XCMS groupid (grpid): 390 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5523 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5524 PK$NUM_PEAK: 39 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5525 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5526 101.071449279785 48478.1953125 7.27 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5527 102.055252075195 7670.65087890625 1.15 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5528 107.049453735352 45553.19921875 6.83 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5529 110.155097961426 2676.5810546875 0.4 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5530 112.037208557129 93422.6875 14.01 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5531 118.064765930176 5521.37060546875 0.83 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5532 119.049392700195 170980.6875 25.64 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5533 128.505966186523 2817.84057617188 0.42 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5534 129.102386474609 19331.947265625 2.9 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5535 130.049987792969 634170.25 95.11 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5536 130.086410522461 27528.513671875 4.13 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5537 136.075637817383 666770.345214844 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5538 140.068084716797 6223.75146484375 0.93 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5539 142.047698974609 4177.8212890625 0.63 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5540 147.044296264648 79662.3125 11.95 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5541 147.076385498047 580076.5625 87 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5542 147.112426757812 29871.99609375 4.48 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5543 150.052597045898 58786.20703125 8.82 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5544 164.070419311523 6033.85009765625 0.9 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5545 165.054351806641 4315.41455078125 0.65 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5546 171.076309204102 4954.19189453125 0.74 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5547 181.097259521484 39991.01171875 6 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5548 182.080657958984 3655.09594726562 0.55 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5549 195.074569702148 17532.904296875 2.63 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5550 202.086074829102 6956.16845703125 1.04 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5551 208.992401123047 3394.27856445312 0.51 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5552 211.104736328125 10040.5458984375 1.51 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5553 213.083847045898 15632.0244140625 2.34 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5554 221.125839233398 5832.0478515625 0.87 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5555 239.136581420898 117392.2734375 17.61 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5556 248.093536376953 5122.92138671875 0.77 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5557 258.075561523438 4643.25 0.7 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5558 266.110534667969 46120.03125 6.92 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5559 274.932250976562 3154.478515625 0.47 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5560 276.086181640625 35498.7421875 5.32 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5561 293.112335205078 16164.1708984375 2.42 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5562 304.273651123047 2863.95190429688 0.43 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5563 310.14013671875 39121.29296875 5.87 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5564 310.173431396484 160963.647949219 24.14 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5565 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5566 RECORD_TITLE: MZ:310.1362 | RT:64.4 | grpid:390 | file:1 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5567 MS$FOCUSED_ION: PRECURSOR_M/Z 310.136154574354 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5568 AC$CHROMATOGRAPHY: RETENTION_TIME 64.427298 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5569 XCMS groupid (grpid): 390 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5570 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5571 PK$NUM_PEAK: 39 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5572 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5573 101.071449279785 48478.1953125 7.27 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5574 102.055252075195 7670.65087890625 1.15 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5575 107.049453735352 45553.19921875 6.83 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5576 110.155097961426 2676.5810546875 0.4 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5577 112.037208557129 93422.6875 14.01 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5578 118.064765930176 5521.37060546875 0.83 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5579 119.049392700195 170980.6875 25.64 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5580 128.505966186523 2817.84057617188 0.42 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5581 129.102386474609 19331.947265625 2.9 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5582 130.049987792969 634170.25 95.11 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5583 130.086410522461 27528.513671875 4.13 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5584 136.075637817383 666770.345214844 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5585 140.068084716797 6223.75146484375 0.93 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5586 142.047698974609 4177.8212890625 0.63 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5587 147.044296264648 79662.3125 11.95 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5588 147.076385498047 580076.5625 87 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5589 147.112426757812 29871.99609375 4.48 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5590 150.052597045898 58786.20703125 8.82 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5591 164.070419311523 6033.85009765625 0.9 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5592 165.054351806641 4315.41455078125 0.65 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5593 171.076309204102 4954.19189453125 0.74 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5594 181.097259521484 39991.01171875 6 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5595 182.080657958984 3655.09594726562 0.55 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5596 195.074569702148 17532.904296875 2.63 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5597 202.086074829102 6956.16845703125 1.04 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5598 208.992401123047 3394.27856445312 0.51 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5599 211.104736328125 10040.5458984375 1.51 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5600 213.083847045898 15632.0244140625 2.34 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5601 221.125839233398 5832.0478515625 0.87 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5602 239.136581420898 117392.2734375 17.61 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5603 248.093536376953 5122.92138671875 0.77 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5604 258.075561523438 4643.25 0.7 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5605 266.110534667969 46120.03125 6.92 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5606 274.932250976562 3154.478515625 0.47 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5607 276.086181640625 35498.7421875 5.32 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5608 293.112335205078 16164.1708984375 2.42 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5609 304.273651123047 2863.95190429688 0.43 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5610 310.14013671875 39121.29296875 5.87 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5611 310.173431396484 160963.647949219 24.14 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5612 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5613 RECORD_TITLE: MZ:310.1362 | RT:64.4 | grpid:390 | file:2 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5614 MS$FOCUSED_ION: PRECURSOR_M/Z 310.136154574354 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5615 AC$CHROMATOGRAPHY: RETENTION_TIME 64.427298 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5616 XCMS groupid (grpid): 390 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5617 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5618 PK$NUM_PEAK: 20 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5619 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5620 112.037353515625 76872.484375 23.39 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5621 122.226097106934 2590.57788085938 0.79 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5622 136.075698852539 2975.9716796875 0.91 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5623 140.068496704102 13813.8818359375 4.2 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5624 150.052734375 64153.66796875 19.52 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5625 150.443908691406 2979.03173828125 0.91 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5626 152.053649902344 6134.9091796875 1.87 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5627 161.502365112305 2828.345703125 0.86 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5628 211.104782104492 17736.466796875 5.4 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5629 221.125762939453 5041.767578125 1.53 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5630 231.580581665039 2973.04028320312 0.9 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5631 234.454711914062 2736.16625976562 0.83 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5632 239.136474609375 120187.484375 36.57 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5633 241.37614440918 3378.51806640625 1.03 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5634 245.100341796875 3069.955078125 0.93 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5635 250.42936706543 2767.24926757812 0.84 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5636 283.275482177734 3348.0849609375 1.02 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5637 292.165405273438 3616.77392578125 1.1 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5638 310.173583984375 328608.09375 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5639 332.187194824219 2774.29077148438 0.84 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5640 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5641 RECORD_TITLE: MZ:310.1362 | RT:64.4 | grpid:390 | file:2 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5642 MS$FOCUSED_ION: PRECURSOR_M/Z 310.136154574354 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5643 AC$CHROMATOGRAPHY: RETENTION_TIME 64.427298 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5644 XCMS groupid (grpid): 390 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5645 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5646 PK$NUM_PEAK: 20 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5647 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5648 112.037353515625 76872.484375 23.39 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5649 122.226097106934 2590.57788085938 0.79 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5650 136.075698852539 2975.9716796875 0.91 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5651 140.068496704102 13813.8818359375 4.2 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5652 150.052734375 64153.66796875 19.52 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5653 150.443908691406 2979.03173828125 0.91 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5654 152.053649902344 6134.9091796875 1.87 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5655 161.502365112305 2828.345703125 0.86 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5656 211.104782104492 17736.466796875 5.4 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5657 221.125762939453 5041.767578125 1.53 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5658 231.580581665039 2973.04028320312 0.9 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5659 234.454711914062 2736.16625976562 0.83 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5660 239.136474609375 120187.484375 36.57 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5661 241.37614440918 3378.51806640625 1.03 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5662 245.100341796875 3069.955078125 0.93 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5663 250.42936706543 2767.24926757812 0.84 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5664 283.275482177734 3348.0849609375 1.02 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5665 292.165405273438 3616.77392578125 1.1 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5666 310.173583984375 328608.09375 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5667 332.187194824219 2774.29077148438 0.84 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5668 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5669 RECORD_TITLE: MZ:311.1234 | RT:60.6 | grpid:391 | file:1 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5670 MS$FOCUSED_ION: PRECURSOR_M/Z 311.123379951208 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5671 AC$CHROMATOGRAPHY: RETENTION_TIME 60.634806 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5672 XCMS groupid (grpid): 391 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5673 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5674 PK$NUM_PEAK: 44 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5675 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5676 102.055362701416 51459.5166015625 4.37 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5677 103.05436706543 7600.23388671875 0.65 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5678 107.049392700195 12013.4572753906 1.02 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5679 109.065208435059 5418.91796875 0.46 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5680 119.049427032471 215712.8203125 18.32 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5681 120.052780151367 7634.90185546875 0.65 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5682 121.065139770508 9486.77734375 0.81 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5683 123.044288635254 363588.353515625 30.87 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5684 125.070899963379 4262.61376953125 0.36 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5685 130.0498046875 145157.779296875 12.33 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5686 131.053817749023 35711.140625 3.03 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5687 136.075729370117 1177616.46875 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5688 137.061065673828 4383.38623046875 0.37 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5689 137.079177856445 113667.5234375 9.65 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5690 147.043998718262 180806.435546875 15.35 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5691 147.076293945312 62146.0859375 5.28 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5692 148.047470092773 6516.5263671875 0.55 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5693 148.060165405273 5060.16064453125 0.43 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5694 148.080047607422 35857.18359375 3.04 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5695 148.084915161133 2965.43701171875 0.25 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5696 151.880661010742 4251.25390625 0.36 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5697 153.065856933594 15198.3740234375 1.29 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5698 159.057067871094 2885.26391601562 0.25 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5699 165.054618835449 766630.6171875 65.1 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5700 166.294631958008 4826.2314453125 0.41 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5701 182.081176757812 412447.921875 35.02 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5702 192.803115844727 2815.35791015625 0.24 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5703 202.086036682129 148282.361328125 12.59 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5704 202.100662231445 5722.71240234375 0.49 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5705 208.105499267578 5755.10595703125 0.49 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5706 212.064331054688 61784.80859375 5.25 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5707 247.107452392578 215120.8125 18.27 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5708 248.091522216797 136433.484375 11.59 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5709 248.334350585938 4942.72265625 0.42 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5710 250.001190185547 4457.26806640625 0.38 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5711 261.415008544922 3475.93676757812 0.3 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5712 275.164428710938 4258.0537109375 0.36 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5713 290.621398925781 4374.6171875 0.37 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5714 293.112396240234 32461.78125 2.76 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5715 294.096374511719 93190.0859375 7.91 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5716 294.107330322266 3196.60620117188 0.27 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5717 297.643768310547 3068.45141601562 0.26 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5718 311.131652832031 58676.25390625 4.98 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5719 311.13720703125 3376.45483398438 0.29 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5720 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5721 RECORD_TITLE: MZ:311.1234 | RT:60.6 | grpid:391 | file:1 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5722 MS$FOCUSED_ION: PRECURSOR_M/Z 311.123379951208 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5723 AC$CHROMATOGRAPHY: RETENTION_TIME 60.634806 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5724 XCMS groupid (grpid): 391 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5725 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5726 PK$NUM_PEAK: 44 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5727 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5728 102.055362701416 51459.5166015625 4.37 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5729 103.05436706543 7600.23388671875 0.65 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5730 107.049392700195 12013.4572753906 1.02 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5731 109.065208435059 5418.91796875 0.46 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5732 119.049427032471 215712.8203125 18.32 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5733 120.052780151367 7634.90185546875 0.65 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5734 121.065139770508 9486.77734375 0.81 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5735 123.044288635254 363588.353515625 30.87 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5736 125.070899963379 4262.61376953125 0.36 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5737 130.0498046875 145157.779296875 12.33 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5738 131.053817749023 35711.140625 3.03 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5739 136.075729370117 1177616.46875 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5740 137.061065673828 4383.38623046875 0.37 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5741 137.079177856445 113667.5234375 9.65 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5742 147.043998718262 180806.435546875 15.35 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5743 147.076293945312 62146.0859375 5.28 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5744 148.047470092773 6516.5263671875 0.55 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5745 148.060165405273 5060.16064453125 0.43 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5746 148.080047607422 35857.18359375 3.04 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5747 148.084915161133 2965.43701171875 0.25 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5748 151.880661010742 4251.25390625 0.36 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5749 153.065856933594 15198.3740234375 1.29 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5750 159.057067871094 2885.26391601562 0.25 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5751 165.054618835449 766630.6171875 65.1 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5752 166.294631958008 4826.2314453125 0.41 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5753 182.081176757812 412447.921875 35.02 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5754 192.803115844727 2815.35791015625 0.24 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5755 202.086036682129 148282.361328125 12.59 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5756 202.100662231445 5722.71240234375 0.49 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5757 208.105499267578 5755.10595703125 0.49 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5758 212.064331054688 61784.80859375 5.25 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5759 247.107452392578 215120.8125 18.27 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5760 248.091522216797 136433.484375 11.59 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5761 248.334350585938 4942.72265625 0.42 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5762 250.001190185547 4457.26806640625 0.38 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5763 261.415008544922 3475.93676757812 0.3 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5764 275.164428710938 4258.0537109375 0.36 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5765 290.621398925781 4374.6171875 0.37 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5766 293.112396240234 32461.78125 2.76 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5767 294.096374511719 93190.0859375 7.91 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5768 294.107330322266 3196.60620117188 0.27 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5769 297.643768310547 3068.45141601562 0.26 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5770 311.131652832031 58676.25390625 4.98 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5771 311.13720703125 3376.45483398438 0.29 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5772 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5773 RECORD_TITLE: MZ:311.1234 | RT:60.6 | grpid:391 | file:2 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5774 MS$FOCUSED_ION: PRECURSOR_M/Z 311.123379951208 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5775 AC$CHROMATOGRAPHY: RETENTION_TIME 60.634806 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5776 XCMS groupid (grpid): 391 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5777 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5778 PK$NUM_PEAK: 44 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5779 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5780 102.048942565918 4303.8115234375 0.57 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5781 102.055355072021 46740.2626953125 6.19 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5782 107.049228668213 11606.0541992188 1.54 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5783 114.61727142334 2876.46118164062 0.38 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5784 119.049373626709 143069.1875 18.95 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5785 119.307312011719 3252.21557617188 0.43 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5786 120.052795410156 13018.21875 1.72 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5787 121.065002441406 12987.8896484375 1.72 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5788 123.044254302979 208349.65625 27.6 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5789 125.071250915527 6366.970703125 0.84 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5790 130.050018310547 172159.390625 22.81 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5791 131.053527832031 22450.779296875 2.97 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5792 134.996307373047 3666.89208984375 0.49 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5793 136.075721740723 754809.5625 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5794 137.060455322266 3380.46362304688 0.45 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5795 137.079238891602 73919.7890625 9.79 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5796 147.043998718262 116102.9453125 15.38 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5797 147.076248168945 30451.986328125 4.03 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5798 148.079696655273 18641.900390625 2.47 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5799 153.065795898438 16919.931640625 2.24 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5800 155.041900634766 2950.26489257812 0.39 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5801 165.040451049805 6191.5 0.82 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5802 165.054618835449 464759.328125 61.57 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5803 173.486709594727 3112.88696289062 0.41 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5804 176.294235229492 3482.40258789062 0.46 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5805 182.081199645996 293733.625 38.91 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5806 202.086235046387 92862.9609375 12.3 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5807 208.10578918457 6299.55322265625 0.83 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5808 212.064117431641 20118.21875 2.67 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5809 212.546920776367 3294.35961914062 0.44 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5810 215.030548095703 2844.96044921875 0.38 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5811 219.112503051758 3053.4462890625 0.4 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5812 220.097061157227 4142.263671875 0.55 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5813 225.296691894531 3369.232421875 0.45 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5814 246.04460144043 4092.14892578125 0.54 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5815 247.107719421387 105158.956542969 13.93 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5816 248.091094970703 87041.5234375 11.53 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5817 266.758697509766 3608.98876953125 0.48 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5818 293.114105224609 29779.12890625 3.95 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5819 294.096649169922 58689.56640625 7.78 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5820 311.13134765625 28442.384765625 3.77 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5821 311.138702392578 3576.6796875 0.47 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5822 313.788848876953 3409.77734375 0.45 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5823 320.026641845703 3267.57104492188 0.43 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5824 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5825 RECORD_TITLE: MZ:311.1234 | RT:60.6 | grpid:391 | file:2 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5826 MS$FOCUSED_ION: PRECURSOR_M/Z 311.123379951208 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5827 AC$CHROMATOGRAPHY: RETENTION_TIME 60.634806 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5828 XCMS groupid (grpid): 391 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5829 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5830 PK$NUM_PEAK: 44 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5831 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5832 102.048942565918 4303.8115234375 0.57 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5833 102.055355072021 46740.2626953125 6.19 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5834 107.049228668213 11606.0541992188 1.54 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5835 114.61727142334 2876.46118164062 0.38 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5836 119.049373626709 143069.1875 18.95 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5837 119.307312011719 3252.21557617188 0.43 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5838 120.052795410156 13018.21875 1.72 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5839 121.065002441406 12987.8896484375 1.72 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5840 123.044254302979 208349.65625 27.6 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5841 125.071250915527 6366.970703125 0.84 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5842 130.050018310547 172159.390625 22.81 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5843 131.053527832031 22450.779296875 2.97 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5844 134.996307373047 3666.89208984375 0.49 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5845 136.075721740723 754809.5625 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5846 137.060455322266 3380.46362304688 0.45 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5847 137.079238891602 73919.7890625 9.79 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5848 147.043998718262 116102.9453125 15.38 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5849 147.076248168945 30451.986328125 4.03 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5850 148.079696655273 18641.900390625 2.47 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5851 153.065795898438 16919.931640625 2.24 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5852 155.041900634766 2950.26489257812 0.39 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5853 165.040451049805 6191.5 0.82 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5854 165.054618835449 464759.328125 61.57 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5855 173.486709594727 3112.88696289062 0.41 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5856 176.294235229492 3482.40258789062 0.46 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5857 182.081199645996 293733.625 38.91 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5858 202.086235046387 92862.9609375 12.3 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5859 208.10578918457 6299.55322265625 0.83 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5860 212.064117431641 20118.21875 2.67 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5861 212.546920776367 3294.35961914062 0.44 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5862 215.030548095703 2844.96044921875 0.38 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5863 219.112503051758 3053.4462890625 0.4 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5864 220.097061157227 4142.263671875 0.55 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5865 225.296691894531 3369.232421875 0.45 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5866 246.04460144043 4092.14892578125 0.54 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5867 247.107719421387 105158.956542969 13.93 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5868 248.091094970703 87041.5234375 11.53 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5869 266.758697509766 3608.98876953125 0.48 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5870 293.114105224609 29779.12890625 3.95 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5871 294.096649169922 58689.56640625 7.78 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5872 311.13134765625 28442.384765625 3.77 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5873 311.138702392578 3576.6796875 0.47 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5874 313.788848876953 3409.77734375 0.45 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5875 320.026641845703 3267.57104492188 0.43 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5876 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5877 RECORD_TITLE: MZ:313.1745 | RT:70.5 | grpid:397 | file:1 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5878 MS$FOCUSED_ION: PRECURSOR_M/Z 313.174482616203 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5879 AC$CHROMATOGRAPHY: RETENTION_TIME 70.461672 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5880 XCMS groupid (grpid): 397 |
|
fc9bb7e49a3a
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 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5882 PK$NUM_PEAK: 12 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5883 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5884 101.695213317871 3385.59912109375 42.51 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5885 123.04426574707 3538.955078125 44.44 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5886 126.253456115723 3662.13037109375 45.98 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5887 136.07536315918 5355.38623046875 67.25 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5888 145.595932006836 3384.28491210938 42.5 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5889 165.05485534668 7963.8818359375 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5890 182.080932617188 4217.93798828125 52.96 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5891 183.308929443359 3979.28833007812 49.97 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5892 190.214126586914 3634.75854492188 45.64 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5893 275.897308349609 4505.84912109375 56.58 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5894 313.157958984375 4618.80029296875 58 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5895 324.759063720703 3623.89794921875 45.5 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5896 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5897 RECORD_TITLE: MZ:313.1745 | RT:70.5 | grpid:397 | file:1 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5898 MS$FOCUSED_ION: PRECURSOR_M/Z 313.174482616203 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5899 AC$CHROMATOGRAPHY: RETENTION_TIME 70.461672 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5900 XCMS groupid (grpid): 397 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5901 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5902 PK$NUM_PEAK: 12 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5903 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5904 101.695213317871 3385.59912109375 42.51 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5905 123.04426574707 3538.955078125 44.44 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5906 126.253456115723 3662.13037109375 45.98 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5907 136.07536315918 5355.38623046875 67.25 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5908 145.595932006836 3384.28491210938 42.5 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5909 165.05485534668 7963.8818359375 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5910 182.080932617188 4217.93798828125 52.96 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5911 183.308929443359 3979.28833007812 49.97 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5912 190.214126586914 3634.75854492188 45.64 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5913 275.897308349609 4505.84912109375 56.58 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5914 313.157958984375 4618.80029296875 58 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5915 324.759063720703 3623.89794921875 45.5 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5916 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5917 RECORD_TITLE: MZ:313.1745 | RT:70.5 | grpid:397 | file:2 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5918 MS$FOCUSED_ION: PRECURSOR_M/Z 313.174482616203 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5919 AC$CHROMATOGRAPHY: RETENTION_TIME 70.461672 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5920 XCMS groupid (grpid): 397 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5921 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5922 PK$NUM_PEAK: 11 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5923 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5924 101.525428771973 4244.95068359375 26.63 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5925 119.048828125 4152.005859375 26.04 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5926 123.043998718262 4032.08984375 25.29 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5927 124.907073974609 4038.091796875 25.33 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5928 130.359146118164 3944.45581054688 24.74 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5929 136.075454711914 9064.216796875 56.86 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5930 150.716735839844 4027.36254882812 25.26 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5931 165.054809570312 15942.01171875 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5932 285.324310302734 4988.541015625 31.29 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5933 313.157501220703 6084.83349609375 38.17 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5934 329.386474609375 3902.72241210938 24.48 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5935 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5936 RECORD_TITLE: MZ:313.1745 | RT:70.5 | grpid:397 | file:2 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5937 MS$FOCUSED_ION: PRECURSOR_M/Z 313.174482616203 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5938 AC$CHROMATOGRAPHY: RETENTION_TIME 70.461672 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5939 XCMS groupid (grpid): 397 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5940 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5941 PK$NUM_PEAK: 11 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5942 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5943 101.525428771973 4244.95068359375 26.63 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5944 119.048828125 4152.005859375 26.04 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5945 123.043998718262 4032.08984375 25.29 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5946 124.907073974609 4038.091796875 25.33 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5947 130.359146118164 3944.45581054688 24.74 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5948 136.075454711914 9064.216796875 56.86 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5949 150.716735839844 4027.36254882812 25.26 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5950 165.054809570312 15942.01171875 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5951 285.324310302734 4988.541015625 31.29 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5952 313.157501220703 6084.83349609375 38.17 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5953 329.386474609375 3902.72241210938 24.48 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5954 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5955 RECORD_TITLE: MZ:317.1788 | RT:69.2 | grpid:407 | file:2 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5956 MS$FOCUSED_ION: PRECURSOR_M/Z 317.178762768594 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5957 AC$CHROMATOGRAPHY: RETENTION_TIME 69.154026 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5958 XCMS groupid (grpid): 407 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5959 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5960 PK$NUM_PEAK: 59 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5961 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5962 100.000617980957 2764.93823242188 1.39 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5963 101.071342468262 52776.33203125 26.46 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5964 110.060340881348 24591.759765625 12.33 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5965 111.924682617188 2987.87060546875 1.5 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5966 113.071136474609 3521.54345703125 1.77 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5967 113.107749938965 4745.8115234375 2.38 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5968 116.03458404541 7157.07080078125 3.59 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5969 118.086532592773 152523.0625 76.46 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5970 124.039489746094 95420.796875 47.83 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5971 124.0751953125 5830.203125 2.92 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5972 125.355590820312 2952.05908203125 1.48 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5973 127.08674621582 14919.6650390625 7.48 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5974 129.065933227539 16939.873046875 8.49 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5975 129.102073669434 5174.90893554688 2.59 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5976 129.56950378418 3229.58862304688 1.62 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5977 131.118225097656 17803.7077636719 8.92 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5978 133.050811767578 7192.8984375 3.61 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5979 133.060806274414 179811.671875 90.14 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5980 138.091178894043 11768.0251464844 5.9 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5981 141.065505981445 5540.62353515625 2.78 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5982 141.102127075195 18097.263671875 9.07 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5983 141.112274169922 3000.49243164062 1.5 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5984 143.117965698242 4690.75146484375 2.35 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5985 145.060546875 39804.20703125 19.95 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5986 154.09748840332 199481.4375 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5987 154.110397338867 6653.892578125 3.34 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5988 155.015762329102 4930.830078125 2.47 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5989 155.081466674805 134560.96875 67.46 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5990 155.117683410645 9135.45166015625 4.58 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5991 155.152099609375 3026.45239257812 1.52 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5992 157.133438110352 94024.890625 47.13 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5993 158.092193603516 6244.7109375 3.13 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5994 169.060424804688 5067.861328125 2.54 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5995 170.044631958008 96956.9140625 48.6 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5996 172.10791015625 36266.9609375 18.18 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5997 178.415512084961 2798.56494140625 1.4 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5998 182.092483520508 98820.796875 49.54 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5999 182.128387451172 56813.08203125 28.48 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6000 183.076568603516 32172.50390625 16.13 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6001 183.112602233887 49895.705078125 25.01 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6002 185.128265380859 24880.546875 12.47 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6003 186.08716583252 24211.0078125 12.14 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6004 187.071311950684 88360.20703125 44.29 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6005 189.123641967773 17734.556640625 8.89 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6006 196.948913574219 2996.55834960938 1.5 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6007 200.103057861328 19847.759765625 9.95 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6008 200.139114379883 16344.5825195312 8.19 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6009 201.124221801758 4613.8994140625 2.31 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6010 204.097801208496 76574.49609375 38.39 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6011 208.096878051758 5119.6318359375 2.57 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6012 210.124572753906 14695.6591796875 7.37 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6013 211.107757568359 18789.5859375 9.42 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6014 225.123199462891 4797.7587890625 2.41 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6015 228.134841918945 26519.537109375 13.29 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6016 245.35807800293 3679.95971679688 1.84 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6017 255.133773803711 6747.7666015625 3.38 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6018 272.159423828125 10641.6845703125 5.33 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6019 299.171508789062 68947.8515625 34.56 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6020 317.116455078125 4209.64306640625 2.11 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6021 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6022 RECORD_TITLE: MZ:317.1788 | RT:69.2 | grpid:407 | file:2 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6023 MS$FOCUSED_ION: PRECURSOR_M/Z 317.178762768594 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6024 AC$CHROMATOGRAPHY: RETENTION_TIME 69.154026 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6025 XCMS groupid (grpid): 407 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6026 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6027 PK$NUM_PEAK: 59 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6028 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6029 100.000617980957 2764.93823242188 1.39 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6030 101.071342468262 52776.33203125 26.46 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6031 110.060340881348 24591.759765625 12.33 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6032 111.924682617188 2987.87060546875 1.5 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6033 113.071136474609 3521.54345703125 1.77 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6034 113.107749938965 4745.8115234375 2.38 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6035 116.03458404541 7157.07080078125 3.59 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6036 118.086532592773 152523.0625 76.46 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6037 124.039489746094 95420.796875 47.83 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6038 124.0751953125 5830.203125 2.92 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6039 125.355590820312 2952.05908203125 1.48 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6040 127.08674621582 14919.6650390625 7.48 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6041 129.065933227539 16939.873046875 8.49 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6042 129.102073669434 5174.90893554688 2.59 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6043 129.56950378418 3229.58862304688 1.62 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6044 131.118225097656 17803.7077636719 8.92 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6045 133.050811767578 7192.8984375 3.61 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6046 133.060806274414 179811.671875 90.14 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6047 138.091178894043 11768.0251464844 5.9 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6048 141.065505981445 5540.62353515625 2.78 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6049 141.102127075195 18097.263671875 9.07 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6050 141.112274169922 3000.49243164062 1.5 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6051 143.117965698242 4690.75146484375 2.35 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6052 145.060546875 39804.20703125 19.95 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6053 154.09748840332 199481.4375 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6054 154.110397338867 6653.892578125 3.34 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6055 155.015762329102 4930.830078125 2.47 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6056 155.081466674805 134560.96875 67.46 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6057 155.117683410645 9135.45166015625 4.58 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6058 155.152099609375 3026.45239257812 1.52 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6059 157.133438110352 94024.890625 47.13 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6060 158.092193603516 6244.7109375 3.13 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6061 169.060424804688 5067.861328125 2.54 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6062 170.044631958008 96956.9140625 48.6 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6063 172.10791015625 36266.9609375 18.18 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6064 178.415512084961 2798.56494140625 1.4 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6065 182.092483520508 98820.796875 49.54 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6066 182.128387451172 56813.08203125 28.48 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6067 183.076568603516 32172.50390625 16.13 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6068 183.112602233887 49895.705078125 25.01 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6069 185.128265380859 24880.546875 12.47 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6070 186.08716583252 24211.0078125 12.14 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6071 187.071311950684 88360.20703125 44.29 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6072 189.123641967773 17734.556640625 8.89 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6073 196.948913574219 2996.55834960938 1.5 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6074 200.103057861328 19847.759765625 9.95 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6075 200.139114379883 16344.5825195312 8.19 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6076 201.124221801758 4613.8994140625 2.31 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6077 204.097801208496 76574.49609375 38.39 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6078 208.096878051758 5119.6318359375 2.57 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6079 210.124572753906 14695.6591796875 7.37 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6080 211.107757568359 18789.5859375 9.42 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6081 225.123199462891 4797.7587890625 2.41 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6082 228.134841918945 26519.537109375 13.29 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6083 245.35807800293 3679.95971679688 1.84 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6084 255.133773803711 6747.7666015625 3.38 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6085 272.159423828125 10641.6845703125 5.33 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6086 299.171508789062 68947.8515625 34.56 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6087 317.116455078125 4209.64306640625 2.11 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
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parents:
diff
changeset
|
6088 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6089 RECORD_TITLE: MZ:320.1805 | RT:62.9 | grpid:415 | file:1 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6090 MS$FOCUSED_ION: PRECURSOR_M/Z 320.180476490627 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6091 AC$CHROMATOGRAPHY: RETENTION_TIME 62.924034 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6092 XCMS groupid (grpid): 415 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6093 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6094 PK$NUM_PEAK: 57 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6095 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6096 101.07137298584 142424.026367188 20.63 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6097 101.206703186035 3570.3681640625 0.52 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6098 102.055252075195 27374.044921875 3.96 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6099 108.080657958984 4892.19140625 0.71 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6100 110.071418762207 3555.12036132812 0.51 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6101 110.096794128418 54158.46875 7.84 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6102 110.366577148438 3414.05200195312 0.49 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6103 112.07600402832 36202.1142578125 5.24 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6104 112.1123046875 27374.921875 3.96 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6105 113.071319580078 5805.10498046875 0.84 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6106 118.08650970459 23935.267578125 3.47 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6107 120.065795898438 58136.41796875 8.42 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6108 122.827262878418 3484.9326171875 0.5 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6109 128.107086181641 210197.671875 30.44 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6110 129.102355957031 82072.0234375 11.89 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6111 130.049896240234 16937.451171875 2.45 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6112 130.086380004883 199416.578125 28.88 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6113 138.091171264648 7357.27392578125 1.07 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6114 140.070541381836 5268.96630859375 0.76 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6115 141.065765380859 4294.599609375 0.62 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6116 142.122650146484 7350.7763671875 1.06 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6117 144.101974487305 3663.02099609375 0.53 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6118 145.727447509766 2849.14697265625 0.41 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6119 155.117385864258 29359.177734375 4.25 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6120 155.1181640625 6593.67626953125 0.95 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6121 155.306137084961 2754.38598632812 0.4 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6122 156.077651977539 3957.36669921875 0.57 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6123 157.097229003906 26848.1309814453 3.89 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6124 159.076278686523 6903.923828125 1 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6125 165.269470214844 2941.64770507812 0.43 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6126 173.128372192383 690476.158203125 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6127 175.107727050781 91529.421875 13.26 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6128 183.112777709961 4876.37744140625 0.71 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6129 185.092567443848 10005.0098876953 1.45 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6130 187.14387512207 13825.490234375 2 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6131 189.085006713867 4207.75341796875 0.61 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6132 196.677001953125 3836.27905273438 0.56 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6133 201.123428344727 73593.9106445312 10.66 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6134 201.141998291016 4870.205078125 0.71 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6135 203.102630615234 43762.265625 6.34 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6136 206.069625854492 3313.53002929688 0.48 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6137 207.098205566406 13862.3974609375 2.01 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6138 212.083724975586 2866.78637695312 0.42 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6139 219.133544921875 27715.28515625 4.01 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6140 221.113983154297 5093.689453125 0.74 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6141 224.081085205078 4853.96435546875 0.7 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6142 229.116897583008 2883.51318359375 0.42 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6143 237.601058959961 2892.41748046875 0.42 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6144 241.118682861328 6213.60546875 0.9 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6145 258.146148681641 25527.23828125 3.7 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6146 259.129089355469 6648.86767578125 0.96 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6147 263.309234619141 3296.20361328125 0.48 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6148 302.170257568359 15380.2099609375 2.23 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6149 304.179077148438 2929.642578125 0.42 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6150 307.448608398438 2918.53735351562 0.42 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6151 320.157135009766 5962.02001953125 0.86 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6152 343.174377441406 4363.37353515625 0.63 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6153 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6154 RECORD_TITLE: MZ:320.1805 | RT:62.9 | grpid:415 | file:1 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6155 MS$FOCUSED_ION: PRECURSOR_M/Z 320.180476490627 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6156 AC$CHROMATOGRAPHY: RETENTION_TIME 62.924034 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6157 XCMS groupid (grpid): 415 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6158 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6159 PK$NUM_PEAK: 57 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6160 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6161 101.07137298584 142424.026367188 20.63 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6162 101.206703186035 3570.3681640625 0.52 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6163 102.055252075195 27374.044921875 3.96 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6164 108.080657958984 4892.19140625 0.71 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6165 110.071418762207 3555.12036132812 0.51 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6166 110.096794128418 54158.46875 7.84 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6167 110.366577148438 3414.05200195312 0.49 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6168 112.07600402832 36202.1142578125 5.24 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6169 112.1123046875 27374.921875 3.96 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6170 113.071319580078 5805.10498046875 0.84 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6171 118.08650970459 23935.267578125 3.47 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6172 120.065795898438 58136.41796875 8.42 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6173 122.827262878418 3484.9326171875 0.5 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6174 128.107086181641 210197.671875 30.44 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6175 129.102355957031 82072.0234375 11.89 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6176 130.049896240234 16937.451171875 2.45 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6177 130.086380004883 199416.578125 28.88 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6178 138.091171264648 7357.27392578125 1.07 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6179 140.070541381836 5268.96630859375 0.76 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6180 141.065765380859 4294.599609375 0.62 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6181 142.122650146484 7350.7763671875 1.06 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6182 144.101974487305 3663.02099609375 0.53 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6183 145.727447509766 2849.14697265625 0.41 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6184 155.117385864258 29359.177734375 4.25 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6185 155.1181640625 6593.67626953125 0.95 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6186 155.306137084961 2754.38598632812 0.4 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6187 156.077651977539 3957.36669921875 0.57 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6188 157.097229003906 26848.1309814453 3.89 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6189 159.076278686523 6903.923828125 1 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6190 165.269470214844 2941.64770507812 0.43 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6191 173.128372192383 690476.158203125 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6192 175.107727050781 91529.421875 13.26 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6193 183.112777709961 4876.37744140625 0.71 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6194 185.092567443848 10005.0098876953 1.45 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6195 187.14387512207 13825.490234375 2 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6196 189.085006713867 4207.75341796875 0.61 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6197 196.677001953125 3836.27905273438 0.56 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6198 201.123428344727 73593.9106445312 10.66 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6199 201.141998291016 4870.205078125 0.71 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6200 203.102630615234 43762.265625 6.34 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6201 206.069625854492 3313.53002929688 0.48 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6202 207.098205566406 13862.3974609375 2.01 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6203 212.083724975586 2866.78637695312 0.42 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6204 219.133544921875 27715.28515625 4.01 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6205 221.113983154297 5093.689453125 0.74 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6206 224.081085205078 4853.96435546875 0.7 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6207 229.116897583008 2883.51318359375 0.42 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6208 237.601058959961 2892.41748046875 0.42 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6209 241.118682861328 6213.60546875 0.9 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6210 258.146148681641 25527.23828125 3.7 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6211 259.129089355469 6648.86767578125 0.96 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6212 263.309234619141 3296.20361328125 0.48 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6213 302.170257568359 15380.2099609375 2.23 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6214 304.179077148438 2929.642578125 0.42 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6215 307.448608398438 2918.53735351562 0.42 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6216 320.157135009766 5962.02001953125 0.86 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6217 343.174377441406 4363.37353515625 0.63 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6218 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6219 RECORD_TITLE: MZ:320.1805 | RT:62.9 | grpid:415 | file:2 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6220 MS$FOCUSED_ION: PRECURSOR_M/Z 320.180476490627 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6221 AC$CHROMATOGRAPHY: RETENTION_TIME 62.924034 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6222 XCMS groupid (grpid): 415 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6223 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6224 PK$NUM_PEAK: 54 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6225 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6226 100.63224029541 2963.869140625 0.38 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6227 101.071418762207 155925.477294922 19.93 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6228 102.055290222168 22224.041015625 2.84 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6229 108.081634521484 10953.9453125 1.4 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6230 110.07160949707 5812.294921875 0.74 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6231 110.096832275391 50952.4140625 6.51 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6232 112.075973510742 33902.9326171875 4.33 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6233 112.112701416016 25964.544921875 3.32 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6234 112.67554473877 3376.37451171875 0.43 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6235 113.071075439453 3899.54760742188 0.5 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6236 118.086494445801 18225.576171875 2.33 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6237 120.065811157227 55594.7109375 7.11 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6238 128.10710144043 230023.0625 29.4 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6239 128.354934692383 3170.56494140625 0.41 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6240 129.102340698242 105016.234375 13.42 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6241 130.050064086914 9219.92553710938 1.18 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6242 130.086288452148 215253.265625 27.51 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6243 131.081161499023 3706.05786132812 0.47 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6244 136.075912475586 3415.15625 0.44 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6245 138.090942382812 13147.5576171875 1.68 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6246 141.066040039062 5142.6689453125 0.66 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6247 142.122909545898 6801.337890625 0.87 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6248 144.102233886719 3282.51245117188 0.42 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6249 146.079727172852 3270.75537109375 0.42 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6250 155.116928100586 3101.03540039062 0.4 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6251 155.118057250977 32112.998046875 4.1 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6252 156.076416015625 4794.39697265625 0.61 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6253 156.100448608398 3721.38208007812 0.48 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6254 157.097007751465 24775.6148681641 3.17 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6255 159.07682800293 12444.0556640625 1.59 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6256 169.59992980957 2906.36572265625 0.37 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6257 171.077926635742 3279.56762695312 0.42 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6258 173.128379821777 782328.752929688 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6259 175.107559204102 105894.828125 13.54 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6260 183.112289428711 5501.28271484375 0.7 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6261 185.092109680176 7670.46264648438 0.98 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6262 185.542449951172 2855.73461914062 0.37 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6263 185.871612548828 3396.39013671875 0.43 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6264 187.072006225586 5646.04931640625 0.72 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6265 187.14453125 13237.7275390625 1.69 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6266 201.123558044434 90016.916015625 11.51 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6267 203.103271484375 37406.94921875 4.78 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6268 206.911346435547 3781.48364257812 0.48 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6269 207.097763061523 12926.41796875 1.65 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6270 219.134170532227 27957.478515625 3.57 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6271 224.080871582031 4288.7607421875 0.55 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6272 258.145782470703 27850.513671875 3.56 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6273 259.127563476562 6199.59521484375 0.79 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6274 265.652374267578 3211.76806640625 0.41 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6275 276.698638916016 3204.525390625 0.41 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6276 279.226867675781 3227.61767578125 0.41 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6277 291.824340820312 2872.27758789062 0.37 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6278 302.171600341797 14686.783203125 1.88 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6279 342.055236816406 3642.53344726562 0.47 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6280 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6281 RECORD_TITLE: MZ:320.1805 | RT:62.9 | grpid:415 | file:2 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6282 MS$FOCUSED_ION: PRECURSOR_M/Z 320.180476490627 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6283 AC$CHROMATOGRAPHY: RETENTION_TIME 62.924034 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6284 XCMS groupid (grpid): 415 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6285 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6286 PK$NUM_PEAK: 54 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6287 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6288 100.63224029541 2963.869140625 0.38 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6289 101.071418762207 155925.477294922 19.93 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6290 102.055290222168 22224.041015625 2.84 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6291 108.081634521484 10953.9453125 1.4 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6292 110.07160949707 5812.294921875 0.74 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6293 110.096832275391 50952.4140625 6.51 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6294 112.075973510742 33902.9326171875 4.33 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6295 112.112701416016 25964.544921875 3.32 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6296 112.67554473877 3376.37451171875 0.43 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6297 113.071075439453 3899.54760742188 0.5 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6298 118.086494445801 18225.576171875 2.33 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6299 120.065811157227 55594.7109375 7.11 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6300 128.10710144043 230023.0625 29.4 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6301 128.354934692383 3170.56494140625 0.41 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6302 129.102340698242 105016.234375 13.42 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6303 130.050064086914 9219.92553710938 1.18 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6304 130.086288452148 215253.265625 27.51 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6305 131.081161499023 3706.05786132812 0.47 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6306 136.075912475586 3415.15625 0.44 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6307 138.090942382812 13147.5576171875 1.68 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6308 141.066040039062 5142.6689453125 0.66 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6309 142.122909545898 6801.337890625 0.87 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6310 144.102233886719 3282.51245117188 0.42 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6311 146.079727172852 3270.75537109375 0.42 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6312 155.116928100586 3101.03540039062 0.4 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6313 155.118057250977 32112.998046875 4.1 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6314 156.076416015625 4794.39697265625 0.61 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6315 156.100448608398 3721.38208007812 0.48 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6316 157.097007751465 24775.6148681641 3.17 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6317 159.07682800293 12444.0556640625 1.59 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6318 169.59992980957 2906.36572265625 0.37 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6319 171.077926635742 3279.56762695312 0.42 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6320 173.128379821777 782328.752929688 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6321 175.107559204102 105894.828125 13.54 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6322 183.112289428711 5501.28271484375 0.7 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6323 185.092109680176 7670.46264648438 0.98 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6324 185.542449951172 2855.73461914062 0.37 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6325 185.871612548828 3396.39013671875 0.43 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6326 187.072006225586 5646.04931640625 0.72 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6327 187.14453125 13237.7275390625 1.69 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6328 201.123558044434 90016.916015625 11.51 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6329 203.103271484375 37406.94921875 4.78 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6330 206.911346435547 3781.48364257812 0.48 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6331 207.097763061523 12926.41796875 1.65 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6332 219.134170532227 27957.478515625 3.57 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6333 224.080871582031 4288.7607421875 0.55 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6334 258.145782470703 27850.513671875 3.56 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6335 259.127563476562 6199.59521484375 0.79 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6336 265.652374267578 3211.76806640625 0.41 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6337 276.698638916016 3204.525390625 0.41 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6338 279.226867675781 3227.61767578125 0.41 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6339 291.824340820312 2872.27758789062 0.37 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6340 302.171600341797 14686.783203125 1.88 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6341 342.055236816406 3642.53344726562 0.47 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6342 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6343 RECORD_TITLE: MZ:323.0385 | RT:83.4 | grpid:423 | file:1 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6344 MS$FOCUSED_ION: PRECURSOR_M/Z 323.038522617119 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6345 AC$CHROMATOGRAPHY: RETENTION_TIME 83.441172 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6346 XCMS groupid (grpid): 423 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6347 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6348 PK$NUM_PEAK: 4 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6349 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6350 129.365707397461 3141.83325195312 52.63 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6351 155.72932434082 2785.9228515625 46.67 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6352 190.997634887695 3309.103515625 55.44 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6353 323.039398193359 5969.2158203125 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6354 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6355 RECORD_TITLE: MZ:323.0385 | RT:83.4 | grpid:423 | file:1 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6356 MS$FOCUSED_ION: PRECURSOR_M/Z 323.038522617119 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6357 AC$CHROMATOGRAPHY: RETENTION_TIME 83.441172 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6358 XCMS groupid (grpid): 423 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6359 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6360 PK$NUM_PEAK: 4 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6361 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6362 129.365707397461 3141.83325195312 52.63 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6363 155.72932434082 2785.9228515625 46.67 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6364 190.997634887695 3309.103515625 55.44 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6365 323.039398193359 5969.2158203125 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6366 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6367 RECORD_TITLE: MZ:323.0385 | RT:83.4 | grpid:423 | file:2 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6368 MS$FOCUSED_ION: PRECURSOR_M/Z 323.038522617119 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6369 AC$CHROMATOGRAPHY: RETENTION_TIME 83.441172 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6370 XCMS groupid (grpid): 423 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6371 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6372 PK$NUM_PEAK: 16 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6373 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6374 106.13370513916 3051.279296875 23.05 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6375 128.50553894043 3386.35693359375 25.58 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6376 137.635299682617 2781.98217773438 21.02 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6377 144.017776489258 2624.34545898438 19.83 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6378 153.065856933594 2935.0458984375 22.17 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6379 174.750671386719 2664.54467773438 20.13 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6380 179.621505737305 2628.43286132812 19.86 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6381 190.996322631836 6637.37841796875 50.14 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6382 211.282440185547 2709.78198242188 20.47 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6383 212.091339111328 2775.75756835938 20.97 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6384 222.567947387695 2769.4775390625 20.92 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6385 256.982543945312 3841.45336914062 29.02 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6386 305.012542724609 5284.28857421875 39.92 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6387 323.039276123047 13236.58203125 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6388 344.520050048828 3327.75537109375 25.14 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6389 348.558624267578 3066.99365234375 23.17 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6390 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6391 RECORD_TITLE: MZ:323.0385 | RT:83.4 | grpid:423 | file:2 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6392 MS$FOCUSED_ION: PRECURSOR_M/Z 323.038522617119 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6393 AC$CHROMATOGRAPHY: RETENTION_TIME 83.441172 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6394 XCMS groupid (grpid): 423 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6395 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6396 PK$NUM_PEAK: 16 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6397 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6398 106.13370513916 3051.279296875 23.05 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6399 128.50553894043 3386.35693359375 25.58 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6400 137.635299682617 2781.98217773438 21.02 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6401 144.017776489258 2624.34545898438 19.83 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6402 153.065856933594 2935.0458984375 22.17 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6403 174.750671386719 2664.54467773438 20.13 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6404 179.621505737305 2628.43286132812 19.86 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6405 190.996322631836 6637.37841796875 50.14 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6406 211.282440185547 2709.78198242188 20.47 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6407 212.091339111328 2775.75756835938 20.97 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6408 222.567947387695 2769.4775390625 20.92 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6409 256.982543945312 3841.45336914062 29.02 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6410 305.012542724609 5284.28857421875 39.92 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6411 323.039276123047 13236.58203125 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6412 344.520050048828 3327.75537109375 25.14 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6413 348.558624267578 3066.99365234375 23.17 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6414 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6415 RECORD_TITLE: MZ:326.1474 | RT:97.7 | grpid:429 | file:2 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6416 MS$FOCUSED_ION: PRECURSOR_M/Z 326.147406045903 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6417 AC$CHROMATOGRAPHY: RETENTION_TIME 97.724058 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6418 XCMS groupid (grpid): 429 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6419 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6420 PK$NUM_PEAK: 8 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6421 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6422 110.071594238281 18136.025390625 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6423 111.771446228027 2785.8037109375 15.36 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6424 117.990272521973 2784.25244140625 15.35 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6425 156.076690673828 14272.5439453125 78.7 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6426 165.825180053711 2898.11499023438 15.98 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6427 202.852157592773 3820.03295898438 21.06 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6428 255.132080078125 4374.06005859375 24.12 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6429 309.125244140625 6484.82861328125 35.76 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6430 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6431 RECORD_TITLE: MZ:326.1474 | RT:97.7 | grpid:429 | file:2 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6432 MS$FOCUSED_ION: PRECURSOR_M/Z 326.147406045903 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6433 AC$CHROMATOGRAPHY: RETENTION_TIME 97.724058 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6434 XCMS groupid (grpid): 429 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6435 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6436 PK$NUM_PEAK: 8 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6437 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6438 110.071594238281 18136.025390625 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6439 111.771446228027 2785.8037109375 15.36 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6440 117.990272521973 2784.25244140625 15.35 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6441 156.076690673828 14272.5439453125 78.7 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6442 165.825180053711 2898.11499023438 15.98 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6443 202.852157592773 3820.03295898438 21.06 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6444 255.132080078125 4374.06005859375 24.12 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6445 309.125244140625 6484.82861328125 35.76 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6446 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6447 RECORD_TITLE: MZ:332.1813 | RT:65.9 | grpid:443 | file:1 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6448 MS$FOCUSED_ION: PRECURSOR_M/Z 332.181334574007 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6449 AC$CHROMATOGRAPHY: RETENTION_TIME 65.949288 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6450 XCMS groupid (grpid): 443 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6451 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6452 PK$NUM_PEAK: 6 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6453 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6454 102.05542755127 26123.17578125 43.2 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6455 109.076393127441 4476.58837890625 7.4 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6456 157.133689880371 51649.9677734375 85.42 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6457 201.086990356445 60467.7214355469 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6458 219.097457885742 39047.7158203125 64.58 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6459 233.113204956055 43104.4912109375 71.29 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6460 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6461 RECORD_TITLE: MZ:332.1813 | RT:65.9 | grpid:443 | file:1 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6462 MS$FOCUSED_ION: PRECURSOR_M/Z 332.181334574007 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6463 AC$CHROMATOGRAPHY: RETENTION_TIME 65.949288 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6464 XCMS groupid (grpid): 443 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6465 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6466 PK$NUM_PEAK: 6 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6467 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6468 102.05542755127 26123.17578125 43.2 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6469 109.076393127441 4476.58837890625 7.4 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6470 157.133689880371 51649.9677734375 85.42 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6471 201.086990356445 60467.7214355469 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6472 219.097457885742 39047.7158203125 64.58 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6473 233.113204956055 43104.4912109375 71.29 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6474 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6475 RECORD_TITLE: MZ:332.1813 | RT:65.9 | grpid:443 | file:2 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6476 MS$FOCUSED_ION: PRECURSOR_M/Z 332.181334574007 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6477 AC$CHROMATOGRAPHY: RETENTION_TIME 65.949288 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6478 XCMS groupid (grpid): 443 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6479 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6480 PK$NUM_PEAK: 4 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6481 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6482 102.055435180664 27922.4780273438 36.54 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6483 130.049758911133 24178.3735351562 31.64 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6484 157.133659362793 76408.0869140625 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6485 233.113571166992 44630.1259765625 58.41 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6486 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6487 RECORD_TITLE: MZ:332.1813 | RT:65.9 | grpid:443 | file:2 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6488 MS$FOCUSED_ION: PRECURSOR_M/Z 332.181334574007 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6489 AC$CHROMATOGRAPHY: RETENTION_TIME 65.949288 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6490 XCMS groupid (grpid): 443 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6491 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6492 PK$NUM_PEAK: 4 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6493 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6494 102.055435180664 27922.4780273438 36.54 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6495 130.049758911133 24178.3735351562 31.64 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6496 157.133659362793 76408.0869140625 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6497 233.113571166992 44630.1259765625 58.41 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6498 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6499 RECORD_TITLE: MZ:334.1384 | RT:121.6 | grpid:450 | file:1 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6500 MS$FOCUSED_ION: PRECURSOR_M/Z 334.138365714283 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6501 AC$CHROMATOGRAPHY: RETENTION_TIME 121.56708 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6502 XCMS groupid (grpid): 450 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6503 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6504 PK$NUM_PEAK: 40 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6505 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6506 102.055374145508 34924.125 11.94 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6507 105.638916015625 2670.29809570312 0.91 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6508 115.054656982422 6235.50390625 2.13 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6509 117.057525634766 7535.74072265625 2.58 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6510 117.070014953613 3981.421875 1.36 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6511 118.06526184082 3313.49340820312 1.13 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6512 130.050109863281 5298.71533203125 1.81 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6513 130.065170288086 154406.5 52.78 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6514 130.162689208984 3056.7685546875 1.04 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6515 132.071838378906 3012.13842773438 1.03 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6516 132.081115722656 124344.254394531 42.51 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6517 132.654556274414 3404.462890625 1.16 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6518 142.065338134766 21583.1640625 7.38 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6519 144.081016540527 114671.080444336 39.2 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6520 146.03205871582 3363.439453125 1.15 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6521 148.061050415039 5300.45068359375 1.81 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6522 159.091682434082 292531.884277344 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6523 160.075546264648 34526.1875 11.8 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6524 160.095016479492 10559.4853515625 3.61 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6525 161.097595214844 4805.8994140625 1.64 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6526 170.059982299805 211147.203125 72.18 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6527 170.158843994141 3004.7626953125 1.03 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6528 172.07551574707 4901.2236328125 1.68 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6529 182.887130737305 3075.35620117188 1.05 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6530 185.055389404297 3717.88793945312 1.27 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6531 187.143936157227 3376.67846679688 1.15 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6532 188.070907592773 6617.0166015625 2.26 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6533 194.829803466797 3063.95654296875 1.05 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6534 200.221343994141 3180.76538085938 1.09 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6535 237.655975341797 2828.33325195312 0.97 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6536 271.107147216797 3924.17333984375 1.34 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6537 278.594848632812 3003.77319335938 1.03 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6538 290.107299804688 6318.23876953125 2.16 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6539 292.225799560547 2910.02954101562 0.99 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6540 299.102294921875 15727.2548828125 5.38 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6541 317.113159179688 89027.9609375 30.43 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6542 319.119873046875 3982.1943359375 1.36 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6543 326.211242675781 3113.96240234375 1.06 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6544 341.972106933594 3192.58032226562 1.09 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6545 347.064605712891 3606.46557617188 1.23 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6546 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6547 RECORD_TITLE: MZ:334.1384 | RT:121.6 | grpid:450 | file:1 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6548 MS$FOCUSED_ION: PRECURSOR_M/Z 334.138365714283 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6549 AC$CHROMATOGRAPHY: RETENTION_TIME 121.56708 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6550 XCMS groupid (grpid): 450 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6551 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6552 PK$NUM_PEAK: 40 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6553 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6554 102.055374145508 34924.125 11.94 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6555 105.638916015625 2670.29809570312 0.91 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6556 115.054656982422 6235.50390625 2.13 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6557 117.057525634766 7535.74072265625 2.58 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6558 117.070014953613 3981.421875 1.36 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6559 118.06526184082 3313.49340820312 1.13 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6560 130.050109863281 5298.71533203125 1.81 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6561 130.065170288086 154406.5 52.78 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6562 130.162689208984 3056.7685546875 1.04 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6563 132.071838378906 3012.13842773438 1.03 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6564 132.081115722656 124344.254394531 42.51 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6565 132.654556274414 3404.462890625 1.16 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6566 142.065338134766 21583.1640625 7.38 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6567 144.081016540527 114671.080444336 39.2 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6568 146.03205871582 3363.439453125 1.15 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6569 148.061050415039 5300.45068359375 1.81 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6570 159.091682434082 292531.884277344 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6571 160.075546264648 34526.1875 11.8 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6572 160.095016479492 10559.4853515625 3.61 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6573 161.097595214844 4805.8994140625 1.64 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6574 170.059982299805 211147.203125 72.18 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6575 170.158843994141 3004.7626953125 1.03 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6576 172.07551574707 4901.2236328125 1.68 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6577 182.887130737305 3075.35620117188 1.05 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6578 185.055389404297 3717.88793945312 1.27 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6579 187.143936157227 3376.67846679688 1.15 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6580 188.070907592773 6617.0166015625 2.26 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6581 194.829803466797 3063.95654296875 1.05 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6582 200.221343994141 3180.76538085938 1.09 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6583 237.655975341797 2828.33325195312 0.97 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6584 271.107147216797 3924.17333984375 1.34 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6585 278.594848632812 3003.77319335938 1.03 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6586 290.107299804688 6318.23876953125 2.16 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6587 292.225799560547 2910.02954101562 0.99 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6588 299.102294921875 15727.2548828125 5.38 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6589 317.113159179688 89027.9609375 30.43 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6590 319.119873046875 3982.1943359375 1.36 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6591 326.211242675781 3113.96240234375 1.06 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6592 341.972106933594 3192.58032226562 1.09 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6593 347.064605712891 3606.46557617188 1.23 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6594 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6595 RECORD_TITLE: MZ:334.1384 | RT:121.6 | grpid:450 | file:2 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6596 MS$FOCUSED_ION: PRECURSOR_M/Z 334.138365714283 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6597 AC$CHROMATOGRAPHY: RETENTION_TIME 121.56708 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6598 XCMS groupid (grpid): 450 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6599 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6600 PK$NUM_PEAK: 30 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6601 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6602 102.039459228516 3126.5771484375 1.66 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6603 102.05541229248 22925.572265625 12.18 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6604 115.054595947266 4878.6552734375 2.59 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6605 117.05744934082 4621.91650390625 2.46 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6606 130.050003051758 4437.884765625 2.36 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6607 130.065055847168 50121.8770751953 26.63 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6608 132.080993652344 80571.0190429688 42.81 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6609 134.146469116211 3342.78857421875 1.78 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6610 142.065338134766 25176.822265625 13.38 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6611 142.121871948242 2997.10668945312 1.59 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6612 144.080917358398 76872.9123535156 40.85 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6613 156.029846191406 3091.78295898438 1.64 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6614 159.091720581055 188204.9296875 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6615 160.075439453125 19693.373046875 10.46 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6616 160.094833374023 12418.2783203125 6.6 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6617 170.059867858887 65065.7559814453 34.57 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6618 171.062759399414 3257.57153320312 1.73 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6619 175.081741333008 3287.94970703125 1.75 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6620 185.056060791016 4413.828125 2.35 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6621 187.143753051758 3404.30590820312 1.81 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6622 188.07096862793 4698.71533203125 2.5 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6623 211.62971496582 2979.23071289062 1.58 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6624 237.822662353516 3933.26025390625 2.09 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6625 243.971221923828 3058.2705078125 1.62 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6626 267.561004638672 3180.29345703125 1.69 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6627 275.105682373047 4434.3291015625 2.36 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6628 290.108581542969 7415.12744140625 3.94 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6629 299.102355957031 15771.7763671875 8.38 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6630 317.112731933594 53765.765625 28.57 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6631 331.68310546875 3073.66259765625 1.63 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6632 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6633 RECORD_TITLE: MZ:334.1384 | RT:121.6 | grpid:450 | file:2 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6634 MS$FOCUSED_ION: PRECURSOR_M/Z 334.138365714283 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6635 AC$CHROMATOGRAPHY: RETENTION_TIME 121.56708 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6636 XCMS groupid (grpid): 450 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6637 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6638 PK$NUM_PEAK: 30 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6639 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6640 102.039459228516 3126.5771484375 1.66 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6641 102.05541229248 22925.572265625 12.18 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6642 115.054595947266 4878.6552734375 2.59 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6643 117.05744934082 4621.91650390625 2.46 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6644 130.050003051758 4437.884765625 2.36 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6645 130.065055847168 50121.8770751953 26.63 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6646 132.080993652344 80571.0190429688 42.81 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6647 134.146469116211 3342.78857421875 1.78 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6648 142.065338134766 25176.822265625 13.38 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6649 142.121871948242 2997.10668945312 1.59 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6650 144.080917358398 76872.9123535156 40.85 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6651 156.029846191406 3091.78295898438 1.64 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6652 159.091720581055 188204.9296875 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6653 160.075439453125 19693.373046875 10.46 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6654 160.094833374023 12418.2783203125 6.6 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6655 170.059867858887 65065.7559814453 34.57 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6656 171.062759399414 3257.57153320312 1.73 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6657 175.081741333008 3287.94970703125 1.75 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6658 185.056060791016 4413.828125 2.35 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6659 187.143753051758 3404.30590820312 1.81 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6660 188.07096862793 4698.71533203125 2.5 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6661 211.62971496582 2979.23071289062 1.58 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6662 237.822662353516 3933.26025390625 2.09 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6663 243.971221923828 3058.2705078125 1.62 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6664 267.561004638672 3180.29345703125 1.69 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6665 275.105682373047 4434.3291015625 2.36 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6666 290.108581542969 7415.12744140625 3.94 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6667 299.102355957031 15771.7763671875 8.38 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6668 317.112731933594 53765.765625 28.57 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6669 331.68310546875 3073.66259765625 1.63 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6670 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6671 RECORD_TITLE: MZ:335.0717 | RT:37.1 | grpid:451 | file:1 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6672 MS$FOCUSED_ION: PRECURSOR_M/Z 335.071702758472 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6673 AC$CHROMATOGRAPHY: RETENTION_TIME 37.1197878 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6674 XCMS groupid (grpid): 451 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6675 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6676 PK$NUM_PEAK: 23 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6677 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6678 109.028854370117 77211.3671875 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6679 112.417579650879 2861.51879882812 3.71 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6680 116.994819641113 14928.2919921875 19.33 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6681 120.833572387695 2670.53662109375 3.46 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6682 124.93717956543 4491.90380859375 5.82 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6683 127.038955688477 18605.169921875 24.1 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6684 140.010711669922 17025.10546875 22.05 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6685 142.948211669922 6705.46044921875 8.68 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6686 145.049789428711 6557.4921875 8.49 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6687 162.45671081543 3080.2978515625 3.99 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6688 163.060287475586 22311.455078125 28.9 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6689 164.930374145508 42782.25390625 55.41 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6690 173.020812988281 63736.734375 82.55 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6691 178.944793701172 22036.150390625 28.54 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6692 215.009567260742 14709.431640625 19.05 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6693 218.967132568359 51529.28515625 66.74 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6694 236.957992553711 29484.544921875 38.19 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6695 244.980163574219 4468.62158203125 5.79 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6696 261.036590576172 47865.4765625 61.99 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6697 273.154998779297 3246.16064453125 4.2 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6698 276.924835205078 5296.65771484375 6.86 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6699 316.950531005859 7445.36279296875 9.64 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6700 335.071899414062 3603.01391601562 4.67 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6701 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6702 RECORD_TITLE: MZ:335.0717 | RT:37.1 | grpid:451 | file:1 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6703 MS$FOCUSED_ION: PRECURSOR_M/Z 335.071702758472 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6704 AC$CHROMATOGRAPHY: RETENTION_TIME 37.1197878 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6705 XCMS groupid (grpid): 451 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6706 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6707 PK$NUM_PEAK: 23 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6708 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6709 109.028854370117 77211.3671875 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6710 112.417579650879 2861.51879882812 3.71 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6711 116.994819641113 14928.2919921875 19.33 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6712 120.833572387695 2670.53662109375 3.46 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6713 124.93717956543 4491.90380859375 5.82 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6714 127.038955688477 18605.169921875 24.1 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6715 140.010711669922 17025.10546875 22.05 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6716 142.948211669922 6705.46044921875 8.68 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6717 145.049789428711 6557.4921875 8.49 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6718 162.45671081543 3080.2978515625 3.99 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6719 163.060287475586 22311.455078125 28.9 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6720 164.930374145508 42782.25390625 55.41 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6721 173.020812988281 63736.734375 82.55 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6722 178.944793701172 22036.150390625 28.54 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6723 215.009567260742 14709.431640625 19.05 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6724 218.967132568359 51529.28515625 66.74 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6725 236.957992553711 29484.544921875 38.19 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6726 244.980163574219 4468.62158203125 5.79 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6727 261.036590576172 47865.4765625 61.99 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6728 273.154998779297 3246.16064453125 4.2 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6729 276.924835205078 5296.65771484375 6.86 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6730 316.950531005859 7445.36279296875 9.64 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6731 335.071899414062 3603.01391601562 4.67 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6732 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6733 RECORD_TITLE: MZ:347.1919 | RT:78 | grpid:479 | file:1 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6734 MS$FOCUSED_ION: PRECURSOR_M/Z 347.191936720949 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6735 AC$CHROMATOGRAPHY: RETENTION_TIME 78.035046 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6736 XCMS groupid (grpid): 479 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6737 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6738 PK$NUM_PEAK: 36 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6739 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6740 101.071441650391 38855.85546875 15.57 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6741 102.055362701416 15487.4990234375 6.2 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6742 106.050285339355 66337.3125 26.57 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6743 120.065902709961 29009.529296875 11.62 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6744 129.066116333008 60496.7890625 24.23 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6745 129.102470397949 10048.8530273438 4.03 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6746 130.050033569336 20780.3076171875 8.32 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6747 131.117866516113 46905.7756347656 18.79 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6748 133.060775756836 12427.3515625 4.98 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6749 136.061645507812 90744.3984375 36.35 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6750 138.091415405273 14158.41796875 5.67 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6751 147.076156616211 5174.88916015625 2.07 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6752 154.049865722656 16886.4985351562 6.76 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6753 157.061103820801 11410.8273925781 4.57 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6754 169.133522033691 34432.833984375 13.79 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6755 171.075454711914 14816.5717773438 5.94 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6756 173.128326416016 10818.0096435547 4.33 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6757 183.113021850586 27507.544921875 11.02 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6758 187.144248962402 44250.6684570312 17.73 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6759 196.144470214844 249633.48046875 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6760 197.128448486328 104142.390625 41.72 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6761 199.071197509766 12615.224609375 5.05 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6762 200.05534362793 19542.0102539062 7.83 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6763 200.139198303223 16877.7907714844 6.76 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6764 211.107528686523 22957.8161621094 9.2 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6765 214.154998779297 81418.5380859375 32.62 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6766 216.097595214844 94867.9609375 38 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6767 217.081878662109 45287.48046875 18.14 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6768 224.139167785645 42035.3784179688 16.84 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6769 225.123306274414 20626.63671875 8.26 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6770 228.134223937988 7684.0546875 3.08 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6771 230.113746643066 16533.8125 6.62 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6772 234.108215332031 17959.0493164062 7.19 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6773 242.15062713623 17147.7495117188 6.87 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6774 329.181610107422 16518.06640625 6.62 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6775 347.136184692383 4085.76953125 1.64 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6776 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6777 RECORD_TITLE: MZ:347.1919 | RT:78 | grpid:479 | file:1 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6778 MS$FOCUSED_ION: PRECURSOR_M/Z 347.191936720949 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6779 AC$CHROMATOGRAPHY: RETENTION_TIME 78.035046 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6780 XCMS groupid (grpid): 479 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6781 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6782 PK$NUM_PEAK: 36 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6783 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6784 101.071441650391 38855.85546875 15.57 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6785 102.055362701416 15487.4990234375 6.2 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6786 106.050285339355 66337.3125 26.57 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6787 120.065902709961 29009.529296875 11.62 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6788 129.066116333008 60496.7890625 24.23 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6789 129.102470397949 10048.8530273438 4.03 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6790 130.050033569336 20780.3076171875 8.32 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6791 131.117866516113 46905.7756347656 18.79 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6792 133.060775756836 12427.3515625 4.98 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6793 136.061645507812 90744.3984375 36.35 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6794 138.091415405273 14158.41796875 5.67 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6795 147.076156616211 5174.88916015625 2.07 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6796 154.049865722656 16886.4985351562 6.76 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6797 157.061103820801 11410.8273925781 4.57 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6798 169.133522033691 34432.833984375 13.79 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6799 171.075454711914 14816.5717773438 5.94 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6800 173.128326416016 10818.0096435547 4.33 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6801 183.113021850586 27507.544921875 11.02 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6802 187.144248962402 44250.6684570312 17.73 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6803 196.144470214844 249633.48046875 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6804 197.128448486328 104142.390625 41.72 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6805 199.071197509766 12615.224609375 5.05 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6806 200.05534362793 19542.0102539062 7.83 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6807 200.139198303223 16877.7907714844 6.76 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6808 211.107528686523 22957.8161621094 9.2 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6809 214.154998779297 81418.5380859375 32.62 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6810 216.097595214844 94867.9609375 38 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6811 217.081878662109 45287.48046875 18.14 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6812 224.139167785645 42035.3784179688 16.84 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6813 225.123306274414 20626.63671875 8.26 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6814 228.134223937988 7684.0546875 3.08 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6815 230.113746643066 16533.8125 6.62 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6816 234.108215332031 17959.0493164062 7.19 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6817 242.15062713623 17147.7495117188 6.87 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6818 329.181610107422 16518.06640625 6.62 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6819 347.136184692383 4085.76953125 1.64 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6820 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6821 RECORD_TITLE: MZ:347.1919 | RT:78 | grpid:479 | file:2 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6822 MS$FOCUSED_ION: PRECURSOR_M/Z 347.191936720949 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6823 AC$CHROMATOGRAPHY: RETENTION_TIME 78.035046 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6824 XCMS groupid (grpid): 479 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6825 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6826 PK$NUM_PEAK: 34 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6827 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6828 101.071472167969 45171.87890625 15.13 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6829 102.055507659912 11715.1706542969 3.92 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6830 106.050277709961 94428.2109375 31.63 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6831 119.081886291504 20982.5908203125 7.03 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6832 120.065902709961 44412.1796875 14.88 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6833 129.065979003906 17099.861328125 5.73 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6834 129.10262298584 6296.30126953125 2.11 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6835 130.049995422363 43451.9609375 14.55 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6836 131.117980957031 70131.5363769531 23.49 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6837 133.060958862305 7111.97705078125 2.38 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6838 136.061737060547 77739.6875 26.04 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6839 138.091125488281 20410.3193359375 6.84 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6840 142.123107910156 4127.76293945312 1.38 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6841 147.076416015625 37106.916015625 12.43 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6842 155.117904663086 11958.1408691406 4.01 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6843 169.133430480957 38866.642578125 13.02 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6844 171.076217651367 17129.9819335938 5.74 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6845 173.128471374512 27745.3078613281 9.29 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6846 183.112846374512 22428.4895019531 7.51 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6847 187.144104003906 26486.3369140625 8.87 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6848 195.076560974121 4683.19836425781 1.57 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6849 196.144493103027 298536.97265625 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6850 197.127998352051 244996.711914062 82.07 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6851 199.071243286133 31779.052734375 10.64 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6852 200.139312744141 21929.404296875 7.35 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6853 211.108215332031 27270.3000488281 9.13 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6854 214.154899597168 117050.339355469 39.21 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6855 216.097808837891 64064.9287109375 21.46 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6856 217.081855773926 51523.7978515625 17.26 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6857 225.123397827148 34381.244140625 11.52 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6858 228.13459777832 7211.38134765625 2.42 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6859 234.108520507812 27310.677734375 9.15 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6860 242.149490356445 26381.802734375 8.84 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6861 329.181365966797 6031.48583984375 2.02 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6862 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6863 RECORD_TITLE: MZ:347.1919 | RT:78 | grpid:479 | file:2 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6864 MS$FOCUSED_ION: PRECURSOR_M/Z 347.191936720949 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6865 AC$CHROMATOGRAPHY: RETENTION_TIME 78.035046 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6866 XCMS groupid (grpid): 479 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6867 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6868 PK$NUM_PEAK: 34 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6869 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6870 101.071472167969 45171.87890625 15.13 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6871 102.055507659912 11715.1706542969 3.92 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6872 106.050277709961 94428.2109375 31.63 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6873 119.081886291504 20982.5908203125 7.03 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6874 120.065902709961 44412.1796875 14.88 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6875 129.065979003906 17099.861328125 5.73 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6876 129.10262298584 6296.30126953125 2.11 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6877 130.049995422363 43451.9609375 14.55 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6878 131.117980957031 70131.5363769531 23.49 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6879 133.060958862305 7111.97705078125 2.38 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6880 136.061737060547 77739.6875 26.04 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6881 138.091125488281 20410.3193359375 6.84 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6882 142.123107910156 4127.76293945312 1.38 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6883 147.076416015625 37106.916015625 12.43 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6884 155.117904663086 11958.1408691406 4.01 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6885 169.133430480957 38866.642578125 13.02 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6886 171.076217651367 17129.9819335938 5.74 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6887 173.128471374512 27745.3078613281 9.29 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6888 183.112846374512 22428.4895019531 7.51 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6889 187.144104003906 26486.3369140625 8.87 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6890 195.076560974121 4683.19836425781 1.57 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6891 196.144493103027 298536.97265625 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6892 197.127998352051 244996.711914062 82.07 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6893 199.071243286133 31779.052734375 10.64 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6894 200.139312744141 21929.404296875 7.35 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6895 211.108215332031 27270.3000488281 9.13 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6896 214.154899597168 117050.339355469 39.21 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6897 216.097808837891 64064.9287109375 21.46 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6898 217.081855773926 51523.7978515625 17.26 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6899 225.123397827148 34381.244140625 11.52 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6900 228.13459777832 7211.38134765625 2.42 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6901 234.108520507812 27310.677734375 9.15 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6902 242.149490356445 26381.802734375 8.84 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6903 329.181365966797 6031.48583984375 2.02 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6904 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6905 RECORD_TITLE: MZ:352.0633 | RT:112 | grpid:488 | file:1 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6906 MS$FOCUSED_ION: PRECURSOR_M/Z 352.063275879513 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6907 AC$CHROMATOGRAPHY: RETENTION_TIME 111.9768 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6908 XCMS groupid (grpid): 488 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6909 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6910 PK$NUM_PEAK: 19 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6911 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6912 105.000904083252 16339.5595703125 2.95 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6913 105.978302001953 16388.6499023438 2.96 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6914 117.996154785156 6805.88110351562 1.23 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6915 120.081001281738 12795.6015625 2.31 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6916 122.027229309082 553689.875 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6917 130.049987792969 83805.9453125 15.14 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6918 131.993957519531 7682.41979980469 1.39 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6919 153.065650939941 19282.65625 3.48 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6920 155.081192016602 14691.1552734375 2.65 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6921 177.999130249023 88241.15625 15.94 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6922 181.060745239258 13317.8837890625 2.41 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6923 185.037841796875 56057.61328125 10.12 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6924 195.025650024414 155284.953125 28.05 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6925 199.071708679199 22317.4033203125 4.03 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6926 205.994300842285 15936.7641601562 2.88 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6927 223.020401000977 77419.640625 13.98 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6928 231.043319702148 218621.484375 39.48 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6929 289.030120849609 19431.6870117188 3.51 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6930 335.035934448242 6131.04125976562 1.11 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6931 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6932 RECORD_TITLE: MZ:352.0633 | RT:112 | grpid:488 | file:1 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6933 MS$FOCUSED_ION: PRECURSOR_M/Z 352.063275879513 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6934 AC$CHROMATOGRAPHY: RETENTION_TIME 111.9768 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6935 XCMS groupid (grpid): 488 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6936 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6937 PK$NUM_PEAK: 19 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6938 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6939 105.000904083252 16339.5595703125 2.95 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6940 105.978302001953 16388.6499023438 2.96 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6941 117.996154785156 6805.88110351562 1.23 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6942 120.081001281738 12795.6015625 2.31 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6943 122.027229309082 553689.875 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6944 130.049987792969 83805.9453125 15.14 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6945 131.993957519531 7682.41979980469 1.39 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6946 153.065650939941 19282.65625 3.48 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6947 155.081192016602 14691.1552734375 2.65 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6948 177.999130249023 88241.15625 15.94 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6949 181.060745239258 13317.8837890625 2.41 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6950 185.037841796875 56057.61328125 10.12 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6951 195.025650024414 155284.953125 28.05 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6952 199.071708679199 22317.4033203125 4.03 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6953 205.994300842285 15936.7641601562 2.88 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6954 223.020401000977 77419.640625 13.98 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6955 231.043319702148 218621.484375 39.48 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6956 289.030120849609 19431.6870117188 3.51 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6957 335.035934448242 6131.04125976562 1.11 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6958 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6959 RECORD_TITLE: MZ:352.0633 | RT:112 | grpid:488 | file:2 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6960 MS$FOCUSED_ION: PRECURSOR_M/Z 352.063275879513 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6961 AC$CHROMATOGRAPHY: RETENTION_TIME 111.9768 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6962 XCMS groupid (grpid): 488 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6963 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6964 PK$NUM_PEAK: 21 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6965 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6966 102.055809020996 3488.69775390625 0.63 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6967 105.00089263916 16334.1181640625 2.96 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6968 105.978260040283 15315.5444335938 2.77 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6969 114.001266479492 4553.93688964844 0.82 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6970 117.995872497559 6745.97436523438 1.22 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6971 120.081207275391 13251.1450195312 2.4 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6972 122.027244567871 552551.75 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6973 130.050048828125 89298.3984375 16.16 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6974 153.065902709961 21011.271484375 3.8 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6975 155.081451416016 13185.5791015625 2.39 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6976 159.021842956543 3775.62109375 0.68 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6977 177.998962402344 79399.4765625 14.37 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6978 181.061080932617 6710.4765625 1.21 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6979 185.03791809082 60947.17578125 11.03 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6980 195.025588989258 165717.125 29.99 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6981 199.071365356445 30928.1953125 5.6 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6982 205.993774414062 10139.4860839844 1.84 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6983 223.020645141602 73948.546875 13.38 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6984 231.04328918457 206556.171875 37.38 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6985 289.031402587891 22851.3984375 4.14 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6986 335.03662109375 9595.59008789062 1.74 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6987 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6988 RECORD_TITLE: MZ:352.0633 | RT:112 | grpid:488 | file:2 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6989 MS$FOCUSED_ION: PRECURSOR_M/Z 352.063275879513 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6990 AC$CHROMATOGRAPHY: RETENTION_TIME 111.9768 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6991 XCMS groupid (grpid): 488 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6992 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6993 PK$NUM_PEAK: 21 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6994 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6995 102.055809020996 3488.69775390625 0.63 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6996 105.00089263916 16334.1181640625 2.96 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6997 105.978260040283 15315.5444335938 2.77 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6998 114.001266479492 4553.93688964844 0.82 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6999 117.995872497559 6745.97436523438 1.22 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7000 120.081207275391 13251.1450195312 2.4 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7001 122.027244567871 552551.75 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7002 130.050048828125 89298.3984375 16.16 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7003 153.065902709961 21011.271484375 3.8 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7004 155.081451416016 13185.5791015625 2.39 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7005 159.021842956543 3775.62109375 0.68 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7006 177.998962402344 79399.4765625 14.37 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7007 181.061080932617 6710.4765625 1.21 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7008 185.03791809082 60947.17578125 11.03 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7009 195.025588989258 165717.125 29.99 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7010 199.071365356445 30928.1953125 5.6 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7011 205.993774414062 10139.4860839844 1.84 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7012 223.020645141602 73948.546875 13.38 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7013 231.04328918457 206556.171875 37.38 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7014 289.031402587891 22851.3984375 4.14 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7015 335.03662109375 9595.59008789062 1.74 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7016 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7017 RECORD_TITLE: MZ:361.1381 | RT:70.6 | grpid:513 | file:2 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7018 MS$FOCUSED_ION: PRECURSOR_M/Z 361.138129803043 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7019 AC$CHROMATOGRAPHY: RETENTION_TIME 70.627524 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7020 XCMS groupid (grpid): 513 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7021 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7022 PK$NUM_PEAK: 85 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7023 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7024 100.039588928223 12111.5087890625 4.67 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7025 107.049629211426 4299.3486328125 1.66 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7026 110.023170471191 3329.40161132812 1.28 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7027 113.107704162598 4920.34716796875 1.9 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7028 116.034530639648 7970.45849609375 3.07 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7029 116.070457458496 3458.05126953125 1.33 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7030 116.985847473145 13577.693359375 5.23 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7031 119.073257446289 52893.6640625 20.38 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7032 130.049957275391 20132.3671875 7.76 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7033 133.060897827148 144405.171875 55.65 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7034 134.060043334961 17994.07421875 6.93 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7035 134.981506347656 5619.01708984375 2.17 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7036 135.068466186523 23966.64453125 9.24 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7037 138.09162902832 13969.5419921875 5.38 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7038 141.102188110352 37979.31640625 14.64 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7039 143.118011474609 7567.67626953125 2.92 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7040 147.076568603516 19166.4921875 7.39 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7041 155.117233276367 6305.6201171875 2.43 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7042 156.102005004883 36974.96875 14.25 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7043 158.013305664062 4057.98681640625 1.56 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7044 165.070190429688 5099.9306640625 1.97 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7045 171.112991333008 4143.97216796875 1.6 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7046 173.092239379883 15757.16796875 6.07 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7047 179.085739135742 7024.31640625 2.71 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7048 181.064788818359 5268.21240234375 2.03 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7049 181.101837158203 5614.2802734375 2.16 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7050 183.080139160156 12282.3447265625 4.73 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7051 183.113555908203 29961.744140625 11.55 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7052 184.096923828125 12666.150390625 4.88 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7053 187.075881958008 4133.361328125 1.59 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7054 187.142852783203 3805.51293945312 1.47 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7055 188.072265625 11006.3916015625 4.24 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7056 189.04345703125 4672.9296875 1.8 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7057 191.085342407227 22742.767578125 8.76 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7058 194.072357177734 13341.189453125 5.14 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7059 195.080490112305 19792.763671875 7.63 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7060 201.123229980469 259482.203125 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7061 207.079467773438 39465.890625 15.21 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7062 209.096343994141 56589.96875 21.81 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7063 210.067993164062 4406.3505859375 1.7 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7064 211.075164794922 20023.044921875 7.72 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7065 213.090377807617 18122.58984375 6.98 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7066 215.072402954102 3484.60229492188 1.34 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7067 219.079452514648 26361.6953125 10.16 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7068 221.060852050781 4412.328125 1.7 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7069 222.067459106445 3540.63134765625 1.36 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7070 223.074951171875 7758.408203125 2.99 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7071 224.080169677734 7972.9208984375 3.07 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7072 225.090362548828 25800.498046875 9.94 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7073 229.083251953125 3768.3662109375 1.45 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7074 229.118225097656 12735.6953125 4.91 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7075 230.070190429688 5364.15283203125 2.07 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7076 235.075057983398 126146.1484375 48.61 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7077 237.090667724609 160906.78125 62.01 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7078 239.069213867188 14495.7060546875 5.59 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7079 240.101486206055 4774.25439453125 1.84 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7080 241.085800170898 46825.71484375 18.05 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7081 242.118072509766 7847.2568359375 3.02 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7082 248.07975769043 6978.37646484375 2.69 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7083 248.124008178711 5452.91552734375 2.1 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7084 252.101409912109 75927.4921875 29.26 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7085 253.086029052734 26955.53515625 10.39 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7086 254.117233276367 172187.140625 66.36 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7087 256.095886230469 16094.89453125 6.2 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7088 256.129821777344 3579.3505859375 1.38 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7089 257.084869384766 6229.66748046875 2.4 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7090 263.070037841797 17579.080078125 6.77 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7091 265.084991455078 22661.712890625 8.73 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7092 269.128082275391 117529.4765625 45.29 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7093 270.111968994141 75451.5546875 29.08 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7094 271.095458984375 6631.2734375 2.56 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7095 280.097412109375 8217.4287109375 3.17 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7096 281.081176757812 37312.8984375 14.38 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7097 281.109832763672 5784.72265625 2.23 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7098 283.096374511719 65701.3984375 25.32 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7099 298.107055664062 90345.890625 34.82 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7100 299.091491699219 8044.08203125 3.1 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7101 300.122497558594 13494.9658203125 5.2 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7102 315.133636474609 233480.109375 89.98 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7103 316.117401123047 35712.87890625 13.76 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7104 319.153411865234 5623.4189453125 2.17 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7105 327.087799072266 5716.10888671875 2.2 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7106 343.513671875 4175.29833984375 1.61 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7107 344.113220214844 18831.517578125 7.26 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7108 361.139190673828 34313.515625 13.22 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7109 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7110 RECORD_TITLE: MZ:361.1381 | RT:70.6 | grpid:513 | file:2 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7111 MS$FOCUSED_ION: PRECURSOR_M/Z 361.138129803043 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7112 AC$CHROMATOGRAPHY: RETENTION_TIME 70.627524 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7113 XCMS groupid (grpid): 513 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7114 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7115 PK$NUM_PEAK: 85 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7116 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7117 100.039588928223 12111.5087890625 4.67 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7118 107.049629211426 4299.3486328125 1.66 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7119 110.023170471191 3329.40161132812 1.28 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7120 113.107704162598 4920.34716796875 1.9 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7121 116.034530639648 7970.45849609375 3.07 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7122 116.070457458496 3458.05126953125 1.33 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7123 116.985847473145 13577.693359375 5.23 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7124 119.073257446289 52893.6640625 20.38 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7125 130.049957275391 20132.3671875 7.76 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7126 133.060897827148 144405.171875 55.65 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7127 134.060043334961 17994.07421875 6.93 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7128 134.981506347656 5619.01708984375 2.17 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7129 135.068466186523 23966.64453125 9.24 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7130 138.09162902832 13969.5419921875 5.38 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7131 141.102188110352 37979.31640625 14.64 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7132 143.118011474609 7567.67626953125 2.92 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7133 147.076568603516 19166.4921875 7.39 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7134 155.117233276367 6305.6201171875 2.43 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7135 156.102005004883 36974.96875 14.25 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7136 158.013305664062 4057.98681640625 1.56 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7137 165.070190429688 5099.9306640625 1.97 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7138 171.112991333008 4143.97216796875 1.6 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7139 173.092239379883 15757.16796875 6.07 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7140 179.085739135742 7024.31640625 2.71 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7141 181.064788818359 5268.21240234375 2.03 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7142 181.101837158203 5614.2802734375 2.16 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7143 183.080139160156 12282.3447265625 4.73 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7144 183.113555908203 29961.744140625 11.55 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7145 184.096923828125 12666.150390625 4.88 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7146 187.075881958008 4133.361328125 1.59 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7147 187.142852783203 3805.51293945312 1.47 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7148 188.072265625 11006.3916015625 4.24 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7149 189.04345703125 4672.9296875 1.8 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7150 191.085342407227 22742.767578125 8.76 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7151 194.072357177734 13341.189453125 5.14 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7152 195.080490112305 19792.763671875 7.63 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7153 201.123229980469 259482.203125 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7154 207.079467773438 39465.890625 15.21 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7155 209.096343994141 56589.96875 21.81 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7156 210.067993164062 4406.3505859375 1.7 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7157 211.075164794922 20023.044921875 7.72 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7158 213.090377807617 18122.58984375 6.98 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7159 215.072402954102 3484.60229492188 1.34 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7160 219.079452514648 26361.6953125 10.16 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7161 221.060852050781 4412.328125 1.7 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7162 222.067459106445 3540.63134765625 1.36 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7163 223.074951171875 7758.408203125 2.99 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7164 224.080169677734 7972.9208984375 3.07 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7165 225.090362548828 25800.498046875 9.94 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7166 229.083251953125 3768.3662109375 1.45 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7167 229.118225097656 12735.6953125 4.91 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7168 230.070190429688 5364.15283203125 2.07 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7169 235.075057983398 126146.1484375 48.61 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7170 237.090667724609 160906.78125 62.01 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7171 239.069213867188 14495.7060546875 5.59 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7172 240.101486206055 4774.25439453125 1.84 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7173 241.085800170898 46825.71484375 18.05 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7174 242.118072509766 7847.2568359375 3.02 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7175 248.07975769043 6978.37646484375 2.69 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7176 248.124008178711 5452.91552734375 2.1 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7177 252.101409912109 75927.4921875 29.26 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7178 253.086029052734 26955.53515625 10.39 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7179 254.117233276367 172187.140625 66.36 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7180 256.095886230469 16094.89453125 6.2 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7181 256.129821777344 3579.3505859375 1.38 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7182 257.084869384766 6229.66748046875 2.4 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7183 263.070037841797 17579.080078125 6.77 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7184 265.084991455078 22661.712890625 8.73 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7185 269.128082275391 117529.4765625 45.29 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7186 270.111968994141 75451.5546875 29.08 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7187 271.095458984375 6631.2734375 2.56 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7188 280.097412109375 8217.4287109375 3.17 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7189 281.081176757812 37312.8984375 14.38 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7190 281.109832763672 5784.72265625 2.23 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7191 283.096374511719 65701.3984375 25.32 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7192 298.107055664062 90345.890625 34.82 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7193 299.091491699219 8044.08203125 3.1 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7194 300.122497558594 13494.9658203125 5.2 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7195 315.133636474609 233480.109375 89.98 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7196 316.117401123047 35712.87890625 13.76 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7197 319.153411865234 5623.4189453125 2.17 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7198 327.087799072266 5716.10888671875 2.2 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7199 343.513671875 4175.29833984375 1.61 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7200 344.113220214844 18831.517578125 7.26 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7201 361.139190673828 34313.515625 13.22 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7202 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7203 RECORD_TITLE: MZ:362.1915 | RT:64.4 | grpid:515 | file:1 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7204 MS$FOCUSED_ION: PRECURSOR_M/Z 362.191525584631 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7205 AC$CHROMATOGRAPHY: RETENTION_TIME 64.427298 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7206 XCMS groupid (grpid): 515 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7207 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7208 PK$NUM_PEAK: 22 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7209 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7210 101.071388244629 21639.20703125 9.06 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7211 102.055397033691 133039.03125 55.68 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7212 116.071235656738 6828.22705078125 2.86 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7213 120.065765380859 130987.234375 54.82 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7214 130.049713134766 31560.658203125 13.21 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7215 140.070526123047 15615.0712890625 6.53 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7216 142.122497558594 13916.052734375 5.82 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7217 143.118209838867 4314.509765625 1.81 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7218 148.060516357422 5441.0029296875 2.28 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7219 152.107116699219 3751.466796875 1.57 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7220 170.118240356445 7807.0615234375 3.27 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7221 185.091690063477 8135.95751953125 3.4 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7222 187.144073486328 89444.8828125 37.43 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7223 197.12907409668 16842.912109375 7.05 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7224 213.086547851562 81395.3359375 34.06 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7225 215.138931274414 238945.421875 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7226 231.097518920898 133114.140625 55.71 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7227 231.119110107422 6252.3779296875 2.62 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7228 231.143371582031 3239.9208984375 1.36 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7229 242.328903198242 3181.13891601562 1.33 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7230 243.133941650391 51009.54296875 21.35 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7231 249.107604980469 10863.931640625 4.55 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7232 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7233 RECORD_TITLE: MZ:362.1915 | RT:64.4 | grpid:515 | file:1 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7234 MS$FOCUSED_ION: PRECURSOR_M/Z 362.191525584631 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7235 AC$CHROMATOGRAPHY: RETENTION_TIME 64.427298 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7236 XCMS groupid (grpid): 515 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7237 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7238 PK$NUM_PEAK: 22 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7239 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7240 101.071388244629 21639.20703125 9.06 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7241 102.055397033691 133039.03125 55.68 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7242 116.071235656738 6828.22705078125 2.86 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7243 120.065765380859 130987.234375 54.82 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7244 130.049713134766 31560.658203125 13.21 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7245 140.070526123047 15615.0712890625 6.53 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7246 142.122497558594 13916.052734375 5.82 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7247 143.118209838867 4314.509765625 1.81 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7248 148.060516357422 5441.0029296875 2.28 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7249 152.107116699219 3751.466796875 1.57 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7250 170.118240356445 7807.0615234375 3.27 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7251 185.091690063477 8135.95751953125 3.4 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7252 187.144073486328 89444.8828125 37.43 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7253 197.12907409668 16842.912109375 7.05 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7254 213.086547851562 81395.3359375 34.06 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7255 215.138931274414 238945.421875 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7256 231.097518920898 133114.140625 55.71 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7257 231.119110107422 6252.3779296875 2.62 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7258 231.143371582031 3239.9208984375 1.36 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7259 242.328903198242 3181.13891601562 1.33 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7260 243.133941650391 51009.54296875 21.35 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7261 249.107604980469 10863.931640625 4.55 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7262 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7263 RECORD_TITLE: MZ:362.1915 | RT:64.4 | grpid:515 | file:2 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7264 MS$FOCUSED_ION: PRECURSOR_M/Z 362.191525584631 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7265 AC$CHROMATOGRAPHY: RETENTION_TIME 64.427298 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7266 XCMS groupid (grpid): 515 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7267 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7268 PK$NUM_PEAK: 23 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7269 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7270 101.071533203125 23256.37109375 10.65 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7271 102.055381774902 115666.3125 52.95 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7272 102.202476501465 3083.99609375 1.41 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7273 112.222114562988 3042.80590820312 1.39 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7274 120.065734863281 114522.625 52.43 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7275 130.049789428711 26518.72265625 12.14 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7276 140.070571899414 7451.79248046875 3.41 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7277 142.122940063477 7232.68798828125 3.31 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7278 143.118148803711 3675.23364257812 1.68 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7279 148.061187744141 3808.60888671875 1.74 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7280 154.849838256836 3004.14819335938 1.38 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7281 169.06022644043 4621.54443359375 2.12 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7282 170.11799621582 7611.681640625 3.48 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7283 185.09260559082 14651.4423828125 6.71 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7284 187.144119262695 120661.4453125 55.24 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7285 197.129119873047 4198.2587890625 1.92 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7286 202.127166748047 4503.88134765625 2.06 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7287 213.087188720703 76450.1328125 35 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7288 215.139007568359 218449.890625 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7289 231.097671508789 138937.828125 63.6 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7290 238.79475402832 3672.62524414062 1.68 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7291 243.133636474609 43720.54296875 20.01 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7292 249.107650756836 5705.5341796875 2.61 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7293 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7294 RECORD_TITLE: MZ:362.1915 | RT:64.4 | grpid:515 | file:2 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7295 MS$FOCUSED_ION: PRECURSOR_M/Z 362.191525584631 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7296 AC$CHROMATOGRAPHY: RETENTION_TIME 64.427298 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7297 XCMS groupid (grpid): 515 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7298 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7299 PK$NUM_PEAK: 23 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7300 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7301 101.071533203125 23256.37109375 10.65 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7302 102.055381774902 115666.3125 52.95 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7303 102.202476501465 3083.99609375 1.41 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7304 112.222114562988 3042.80590820312 1.39 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7305 120.065734863281 114522.625 52.43 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7306 130.049789428711 26518.72265625 12.14 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7307 140.070571899414 7451.79248046875 3.41 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7308 142.122940063477 7232.68798828125 3.31 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7309 143.118148803711 3675.23364257812 1.68 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7310 148.061187744141 3808.60888671875 1.74 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7311 154.849838256836 3004.14819335938 1.38 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7312 169.06022644043 4621.54443359375 2.12 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7313 170.11799621582 7611.681640625 3.48 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7314 185.09260559082 14651.4423828125 6.71 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7315 187.144119262695 120661.4453125 55.24 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7316 197.129119873047 4198.2587890625 1.92 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7317 202.127166748047 4503.88134765625 2.06 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7318 213.087188720703 76450.1328125 35 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7319 215.139007568359 218449.890625 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7320 231.097671508789 138937.828125 63.6 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7321 238.79475402832 3672.62524414062 1.68 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7322 243.133636474609 43720.54296875 20.01 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7323 249.107650756836 5705.5341796875 2.61 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7324 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7325 RECORD_TITLE: MZ:363.1562 | RT:69.7 | grpid:518 | file:1 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7326 MS$FOCUSED_ION: PRECURSOR_M/Z 363.156167686281 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7327 AC$CHROMATOGRAPHY: RETENTION_TIME 69.717042 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7328 XCMS groupid (grpid): 518 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7329 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7330 PK$NUM_PEAK: 16 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7331 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7332 100.313407897949 6955.587890625 2.46 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7333 103.620452880859 5906.43359375 2.09 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7334 119.049507141113 64195.64453125 22.75 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7335 120.495223999023 7355.00341796875 2.61 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7336 123.044242858887 108771.984375 38.55 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7337 124.589881896973 6751.685546875 2.39 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7338 136.07568359375 282181.375 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7339 147.044326782227 42011.515625 14.89 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7340 152.85009765625 7171.017578125 2.54 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7341 165.054473876953 226403.40625 80.23 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7342 182.081146240234 131745.671875 46.69 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7343 215.139312744141 8024.45361328125 2.84 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7344 216.112915039062 12873.7197265625 4.56 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7345 216.143112182617 8893.7724609375 3.15 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7346 351.907806396484 7833.08203125 2.78 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7347 362.615264892578 7317.9599609375 2.59 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7348 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7349 RECORD_TITLE: MZ:363.1562 | RT:69.7 | grpid:518 | file:1 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7350 MS$FOCUSED_ION: PRECURSOR_M/Z 363.156167686281 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7351 AC$CHROMATOGRAPHY: RETENTION_TIME 69.717042 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7352 XCMS groupid (grpid): 518 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7353 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7354 PK$NUM_PEAK: 16 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7355 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7356 100.313407897949 6955.587890625 2.46 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7357 103.620452880859 5906.43359375 2.09 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7358 119.049507141113 64195.64453125 22.75 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7359 120.495223999023 7355.00341796875 2.61 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7360 123.044242858887 108771.984375 38.55 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7361 124.589881896973 6751.685546875 2.39 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7362 136.07568359375 282181.375 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7363 147.044326782227 42011.515625 14.89 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7364 152.85009765625 7171.017578125 2.54 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7365 165.054473876953 226403.40625 80.23 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7366 182.081146240234 131745.671875 46.69 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7367 215.139312744141 8024.45361328125 2.84 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7368 216.112915039062 12873.7197265625 4.56 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7369 216.143112182617 8893.7724609375 3.15 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7370 351.907806396484 7833.08203125 2.78 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7371 362.615264892578 7317.9599609375 2.59 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7372 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7373 RECORD_TITLE: MZ:363.1562 | RT:69.7 | grpid:518 | file:2 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7374 MS$FOCUSED_ION: PRECURSOR_M/Z 363.156167686281 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7375 AC$CHROMATOGRAPHY: RETENTION_TIME 69.717042 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7376 XCMS groupid (grpid): 518 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7377 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7378 PK$NUM_PEAK: 11 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7379 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7380 119.049301147461 70843.5703125 21.06 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7381 123.044204711914 107581.75 31.98 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7382 136.075729370117 336374.71875 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7383 147.043792724609 58860.91015625 17.5 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7384 160.325393676758 6112.95458984375 1.82 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7385 165.054580688477 253447.875 75.35 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7386 182.081176757812 139566.4375 41.49 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7387 216.112899780273 12982.91015625 3.86 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7388 246.316207885742 5869.61962890625 1.74 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7389 253.381652832031 6271.06396484375 1.86 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7390 353.493469238281 6891.98046875 2.05 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7391 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7392 RECORD_TITLE: MZ:363.1562 | RT:69.7 | grpid:518 | file:2 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7393 MS$FOCUSED_ION: PRECURSOR_M/Z 363.156167686281 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7394 AC$CHROMATOGRAPHY: RETENTION_TIME 69.717042 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7395 XCMS groupid (grpid): 518 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7396 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7397 PK$NUM_PEAK: 11 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7398 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7399 119.049301147461 70843.5703125 21.06 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7400 123.044204711914 107581.75 31.98 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7401 136.075729370117 336374.71875 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7402 147.043792724609 58860.91015625 17.5 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7403 160.325393676758 6112.95458984375 1.82 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7404 165.054580688477 253447.875 75.35 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7405 182.081176757812 139566.4375 41.49 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7406 216.112899780273 12982.91015625 3.86 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7407 246.316207885742 5869.61962890625 1.74 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7408 253.381652832031 6271.06396484375 1.86 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7409 353.493469238281 6891.98046875 2.05 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7410 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7411 RECORD_TITLE: MZ:369.1509 | RT:118.6 | grpid:537 | file:2 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7412 MS$FOCUSED_ION: PRECURSOR_M/Z 369.150928816373 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7413 AC$CHROMATOGRAPHY: RETENTION_TIME 118.583076 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7414 XCMS groupid (grpid): 537 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7415 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7416 PK$NUM_PEAK: 5 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7417 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7418 113.532424926758 3462.68896484375 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7419 117.139762878418 3111.56518554688 89.86 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7420 141.411041259766 2775.10424804688 80.14 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7421 159.579620361328 2853.40112304688 82.4 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7422 165.934677124023 2729.99926757812 78.84 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7423 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7424 RECORD_TITLE: MZ:369.1509 | RT:118.6 | grpid:537 | file:2 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7425 MS$FOCUSED_ION: PRECURSOR_M/Z 369.150928816373 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7426 AC$CHROMATOGRAPHY: RETENTION_TIME 118.583076 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7427 XCMS groupid (grpid): 537 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7428 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7429 PK$NUM_PEAK: 5 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7430 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7431 113.532424926758 3462.68896484375 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7432 117.139762878418 3111.56518554688 89.86 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7433 141.411041259766 2775.10424804688 80.14 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7434 159.579620361328 2853.40112304688 82.4 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7435 165.934677124023 2729.99926757812 78.84 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7436 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7437 RECORD_TITLE: MZ:375.1875 | RT:51.4 | grpid:551 | file:1 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7438 MS$FOCUSED_ION: PRECURSOR_M/Z 375.187492298947 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7439 AC$CHROMATOGRAPHY: RETENTION_TIME 51.4450368 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7440 XCMS groupid (grpid): 551 |
|
fc9bb7e49a3a
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 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7442 PK$NUM_PEAK: 21 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7443 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7444 101.071388244629 10320.2995605469 12.87 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7445 102.055366516113 13112.5480957031 16.36 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7446 116.034637451172 3510.90710449219 4.38 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7447 129.066009521484 15192.037109375 18.95 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7448 129.102279663086 13733.3583984375 17.13 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7449 130.049987792969 80171.9140625 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7450 130.086296081543 5697.1201171875 7.11 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7451 133.060890197754 13363.5390625 16.67 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7452 134.044990539551 19081.3818359375 23.8 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7453 138.091339111328 3703.9326171875 4.62 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7454 141.102409362793 13339.2260742188 16.64 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7455 147.076431274414 57417.9453125 71.62 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7456 148.060569763184 4422.49047851562 5.52 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7457 183.113189697266 5971.2109375 7.45 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7458 187.107246398926 36474.6630859375 45.5 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7459 196.144485473633 13343.3974609375 16.64 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7460 197.128677368164 16694.6728515625 20.82 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7461 200.139434814453 7096.67138671875 8.85 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7462 201.123291015625 49165.94921875 61.33 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7463 215.139579772949 31059.5698242188 38.74 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7464 229.11856842041 7129.09887695312 8.89 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7465 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7466 RECORD_TITLE: MZ:375.1875 | RT:51.4 | grpid:551 | file:1 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7467 MS$FOCUSED_ION: PRECURSOR_M/Z 375.187492298947 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7468 AC$CHROMATOGRAPHY: RETENTION_TIME 51.4450368 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7469 XCMS groupid (grpid): 551 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7470 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7471 PK$NUM_PEAK: 21 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7472 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7473 101.071388244629 10320.2995605469 12.87 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7474 102.055366516113 13112.5480957031 16.36 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7475 116.034637451172 3510.90710449219 4.38 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7476 129.066009521484 15192.037109375 18.95 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7477 129.102279663086 13733.3583984375 17.13 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7478 130.049987792969 80171.9140625 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7479 130.086296081543 5697.1201171875 7.11 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7480 133.060890197754 13363.5390625 16.67 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7481 134.044990539551 19081.3818359375 23.8 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7482 138.091339111328 3703.9326171875 4.62 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7483 141.102409362793 13339.2260742188 16.64 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7484 147.076431274414 57417.9453125 71.62 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7485 148.060569763184 4422.49047851562 5.52 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7486 183.113189697266 5971.2109375 7.45 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7487 187.107246398926 36474.6630859375 45.5 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7488 196.144485473633 13343.3974609375 16.64 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7489 197.128677368164 16694.6728515625 20.82 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7490 200.139434814453 7096.67138671875 8.85 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7491 201.123291015625 49165.94921875 61.33 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7492 215.139579772949 31059.5698242188 38.74 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7493 229.11856842041 7129.09887695312 8.89 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7494 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7495 RECORD_TITLE: MZ:375.1875 | RT:51.4 | grpid:551 | file:2 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7496 MS$FOCUSED_ION: PRECURSOR_M/Z 375.187492298947 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7497 AC$CHROMATOGRAPHY: RETENTION_TIME 51.4450368 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7498 XCMS groupid (grpid): 551 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7499 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7500 PK$NUM_PEAK: 21 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7501 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7502 101.071418762207 15644.1923828125 37.42 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7503 102.055549621582 26777.037109375 64.04 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7504 129.066070556641 6207.2783203125 14.85 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7505 129.10237121582 12822.3798828125 30.67 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7506 130.049926757812 37559.9716796875 89.83 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7507 133.060806274414 14907.283203125 35.65 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7508 134.044662475586 5043.2861328125 12.06 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7509 138.091209411621 4456.18994140625 10.66 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7510 141.102203369141 10635.4230957031 25.44 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7511 147.076293945312 41811.7578125 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7512 148.060348510742 4282.16796875 10.24 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7513 155.117980957031 10163.3474121094 24.31 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7514 183.113204956055 16438.5219726562 39.32 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7515 187.107887268066 23889.115234375 57.13 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7516 196.144416809082 17163.5512695312 41.05 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7517 197.128570556641 21672.10546875 51.83 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7518 200.139213562012 24325.0087890625 58.18 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7519 201.123519897461 21752.84765625 52.03 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7520 215.13939666748 15364.1811523438 36.75 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7521 229.117965698242 6342.74047851562 15.17 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7522 244.092918395996 9322.70654296875 22.3 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7523 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7524 RECORD_TITLE: MZ:375.1875 | RT:51.4 | grpid:551 | file:2 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7525 MS$FOCUSED_ION: PRECURSOR_M/Z 375.187492298947 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7526 AC$CHROMATOGRAPHY: RETENTION_TIME 51.4450368 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7527 XCMS groupid (grpid): 551 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7528 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7529 PK$NUM_PEAK: 21 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7530 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7531 101.071418762207 15644.1923828125 37.42 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7532 102.055549621582 26777.037109375 64.04 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7533 129.066070556641 6207.2783203125 14.85 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7534 129.10237121582 12822.3798828125 30.67 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7535 130.049926757812 37559.9716796875 89.83 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7536 133.060806274414 14907.283203125 35.65 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7537 134.044662475586 5043.2861328125 12.06 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7538 138.091209411621 4456.18994140625 10.66 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7539 141.102203369141 10635.4230957031 25.44 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7540 147.076293945312 41811.7578125 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7541 148.060348510742 4282.16796875 10.24 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7542 155.117980957031 10163.3474121094 24.31 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7543 183.113204956055 16438.5219726562 39.32 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7544 187.107887268066 23889.115234375 57.13 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7545 196.144416809082 17163.5512695312 41.05 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7546 197.128570556641 21672.10546875 51.83 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7547 200.139213562012 24325.0087890625 58.18 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7548 201.123519897461 21752.84765625 52.03 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7549 215.13939666748 15364.1811523438 36.75 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7550 229.117965698242 6342.74047851562 15.17 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7551 244.092918395996 9322.70654296875 22.3 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7552 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7553 RECORD_TITLE: MZ:394.1621 | RT:112 | grpid:596 | file:1 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7554 MS$FOCUSED_ION: PRECURSOR_M/Z 394.162103579203 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7555 AC$CHROMATOGRAPHY: RETENTION_TIME 111.9768 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7556 XCMS groupid (grpid): 596 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7557 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7558 PK$NUM_PEAK: 17 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7559 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7560 102.766708374023 3929.609375 7.41 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7561 117.806762695312 3366.19604492188 6.35 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7562 118.686012268066 3622.3388671875 6.83 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7563 123.743171691895 3217.89379882812 6.07 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7564 125.071006774902 5570.35595703125 10.5 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7565 128.317962646484 2899.56469726562 5.47 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7566 136.075881958008 20010.845703125 37.73 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7567 155.045272827148 3647.17114257812 6.88 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7568 165.054244995117 5754.60986328125 10.85 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7569 167.081008911133 6179.26220703125 11.65 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7570 175.066543579102 3524.22631835938 6.64 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7571 185.092147827148 53042.44140625 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7572 196.061447143555 4606.38916015625 8.68 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7573 213.08674621582 5382.7021484375 10.15 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7574 279.134704589844 22566.8359375 42.54 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7575 317.111999511719 7535.61669921875 14.21 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7576 359.123138427734 5193.3125 9.79 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7577 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7578 RECORD_TITLE: MZ:394.1621 | RT:112 | grpid:596 | file:1 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7579 MS$FOCUSED_ION: PRECURSOR_M/Z 394.162103579203 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7580 AC$CHROMATOGRAPHY: RETENTION_TIME 111.9768 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7581 XCMS groupid (grpid): 596 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7582 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7583 PK$NUM_PEAK: 17 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7584 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7585 102.766708374023 3929.609375 7.41 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7586 117.806762695312 3366.19604492188 6.35 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7587 118.686012268066 3622.3388671875 6.83 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7588 123.743171691895 3217.89379882812 6.07 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7589 125.071006774902 5570.35595703125 10.5 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7590 128.317962646484 2899.56469726562 5.47 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7591 136.075881958008 20010.845703125 37.73 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7592 155.045272827148 3647.17114257812 6.88 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7593 165.054244995117 5754.60986328125 10.85 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7594 167.081008911133 6179.26220703125 11.65 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7595 175.066543579102 3524.22631835938 6.64 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7596 185.092147827148 53042.44140625 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7597 196.061447143555 4606.38916015625 8.68 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7598 213.08674621582 5382.7021484375 10.15 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7599 279.134704589844 22566.8359375 42.54 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7600 317.111999511719 7535.61669921875 14.21 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7601 359.123138427734 5193.3125 9.79 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7602 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7603 RECORD_TITLE: MZ:394.1621 | RT:112 | grpid:596 | file:2 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7604 MS$FOCUSED_ION: PRECURSOR_M/Z 394.162103579203 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7605 AC$CHROMATOGRAPHY: RETENTION_TIME 111.9768 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7606 XCMS groupid (grpid): 596 |
|
fc9bb7e49a3a
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 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7608 PK$NUM_PEAK: 17 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7609 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7610 125.071266174316 18474.486328125 35.71 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7611 136.07585144043 26903.927734375 52 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7612 142.836349487305 3245.5166015625 6.27 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7613 147.454162597656 3399.47290039062 6.57 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7614 151.377349853516 3015.4287109375 5.83 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7615 167.082138061523 5944.7177734375 11.49 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7616 182.081329345703 4438.41357421875 8.58 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7617 185.091857910156 51733.65234375 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7618 196.059860229492 4624.06640625 8.94 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7619 211.785034179688 3312.98022460938 6.4 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7620 213.087020874023 7644.798828125 14.78 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7621 243.112808227539 6943.72216796875 13.42 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7622 243.903228759766 3231.54345703125 6.25 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7623 279.133819580078 18169.6484375 35.12 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7624 317.114227294922 13560.7890625 26.21 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7625 359.126098632812 3799.70556640625 7.34 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7626 394.346771240234 3509.42309570312 6.78 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7627 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7628 RECORD_TITLE: MZ:394.1621 | RT:112 | grpid:596 | file:2 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7629 MS$FOCUSED_ION: PRECURSOR_M/Z 394.162103579203 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7630 AC$CHROMATOGRAPHY: RETENTION_TIME 111.9768 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7631 XCMS groupid (grpid): 596 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7632 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7633 PK$NUM_PEAK: 17 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7634 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7635 125.071266174316 18474.486328125 35.71 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7636 136.07585144043 26903.927734375 52 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7637 142.836349487305 3245.5166015625 6.27 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7638 147.454162597656 3399.47290039062 6.57 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7639 151.377349853516 3015.4287109375 5.83 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7640 167.082138061523 5944.7177734375 11.49 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7641 182.081329345703 4438.41357421875 8.58 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7642 185.091857910156 51733.65234375 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7643 196.059860229492 4624.06640625 8.94 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7644 211.785034179688 3312.98022460938 6.4 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7645 213.087020874023 7644.798828125 14.78 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7646 243.112808227539 6943.72216796875 13.42 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7647 243.903228759766 3231.54345703125 6.25 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7648 279.133819580078 18169.6484375 35.12 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7649 317.114227294922 13560.7890625 26.21 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7650 359.126098632812 3799.70556640625 7.34 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7651 394.346771240234 3509.42309570312 6.78 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7652 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7653 RECORD_TITLE: MZ:401.0617 | RT:34 | grpid:612 | file:1 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7654 MS$FOCUSED_ION: PRECURSOR_M/Z 401.061711739436 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7655 AC$CHROMATOGRAPHY: RETENTION_TIME 34.0415226 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7656 XCMS groupid (grpid): 612 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7657 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7658 PK$NUM_PEAK: 33 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7659 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7660 100.988975524902 47076.8515625 1.12 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7661 108.061096191406 3763.66381835938 0.09 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7662 109.599235534668 2997.06420898438 0.07 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7663 116.995063781738 70216.3365478516 1.67 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7664 124.999984741211 42946.36328125 1.02 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7665 136.999877929688 238328.71875 5.67 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7666 140.010681152344 93211.8828125 2.22 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7667 140.528503417969 8499.00390625 0.2 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7668 155.01033782959 4202327.1796875 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7669 156.014068603516 18942.033203125 0.45 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7670 157.014785766602 85852.5703125 2.04 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7671 159.085784912109 3452.07983398438 0.08 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7672 169.349212646484 3243.4013671875 0.08 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7673 173.02074432373 342223.037841797 8.14 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7674 173.036026000977 18195.396484375 0.43 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7675 173.584411621094 3040.2529296875 0.07 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7676 175.025650024414 7430.17431640625 0.18 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7677 178.950942993164 31425.779296875 0.75 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7678 193.485229492188 3269.10034179688 0.08 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7679 196.037170410156 44366.0078125 1.06 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7680 201.402801513672 7493.45556640625 0.18 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7681 211.036468505859 265549.441650391 6.32 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7682 213.640502929688 9425.62890625 0.22 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7683 216.965560913086 144223.203125 3.43 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7684 229.04704284668 521291.78125 12.4 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7685 231.051712036133 6051.41162109375 0.14 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7686 234.976585388184 311908.163330078 7.42 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7687 236.98127746582 5809.45556640625 0.14 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7688 247.057693481445 135150.9375 3.22 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7689 291.002990722656 192032.71875 4.57 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7690 309.012908935547 35465.66796875 0.84 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7691 311.400085449219 10430.2568359375 0.25 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7692 376.881713867188 8704.376953125 0.21 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7693 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7694 RECORD_TITLE: MZ:401.0617 | RT:34 | grpid:612 | file:1 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7695 MS$FOCUSED_ION: PRECURSOR_M/Z 401.061711739436 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7696 AC$CHROMATOGRAPHY: RETENTION_TIME 34.0415226 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7697 XCMS groupid (grpid): 612 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7698 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7699 PK$NUM_PEAK: 33 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7700 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7701 100.988975524902 47076.8515625 1.12 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7702 108.061096191406 3763.66381835938 0.09 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7703 109.599235534668 2997.06420898438 0.07 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7704 116.995063781738 70216.3365478516 1.67 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7705 124.999984741211 42946.36328125 1.02 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7706 136.999877929688 238328.71875 5.67 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7707 140.010681152344 93211.8828125 2.22 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7708 140.528503417969 8499.00390625 0.2 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7709 155.01033782959 4202327.1796875 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7710 156.014068603516 18942.033203125 0.45 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7711 157.014785766602 85852.5703125 2.04 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7712 159.085784912109 3452.07983398438 0.08 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7713 169.349212646484 3243.4013671875 0.08 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7714 173.02074432373 342223.037841797 8.14 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7715 173.036026000977 18195.396484375 0.43 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7716 173.584411621094 3040.2529296875 0.07 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7717 175.025650024414 7430.17431640625 0.18 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7718 178.950942993164 31425.779296875 0.75 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7719 193.485229492188 3269.10034179688 0.08 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7720 196.037170410156 44366.0078125 1.06 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7721 201.402801513672 7493.45556640625 0.18 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7722 211.036468505859 265549.441650391 6.32 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7723 213.640502929688 9425.62890625 0.22 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7724 216.965560913086 144223.203125 3.43 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7725 229.04704284668 521291.78125 12.4 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7726 231.051712036133 6051.41162109375 0.14 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7727 234.976585388184 311908.163330078 7.42 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7728 236.98127746582 5809.45556640625 0.14 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7729 247.057693481445 135150.9375 3.22 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7730 291.002990722656 192032.71875 4.57 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7731 309.012908935547 35465.66796875 0.84 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7732 311.400085449219 10430.2568359375 0.25 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7733 376.881713867188 8704.376953125 0.21 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7734 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7735 RECORD_TITLE: MZ:401.0617 | RT:34 | grpid:612 | file:2 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7736 MS$FOCUSED_ION: PRECURSOR_M/Z 401.061711739436 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7737 AC$CHROMATOGRAPHY: RETENTION_TIME 34.0415226 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7738 XCMS groupid (grpid): 612 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7739 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7740 PK$NUM_PEAK: 34 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7741 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7742 100.988807678223 40817.30859375 0.95 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7743 101.309761047363 3056.51245117188 0.07 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7744 116.995010375977 152569.53125 3.57 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7745 123.777450561523 8107.2958984375 0.19 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7746 124.999740600586 60736.56640625 1.42 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7747 136.999847412109 264684 6.19 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7748 140.010818481445 98667.4140625 2.31 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7749 140.450241088867 8842.6044921875 0.21 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7750 141.789901733398 3405.86743164062 0.08 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7751 155.010330200195 4279122.8828125 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7752 156.01383972168 16251.8291015625 0.38 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7753 157.014694213867 89120.7421875 2.08 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7754 173.020904541016 363787.670166016 8.5 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7755 175.025650024414 12913.28515625 0.3 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7756 178.950073242188 34890.97265625 0.82 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7757 195.501876831055 7862.93017578125 0.18 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7758 196.036972045898 55461.46484375 1.3 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7759 211.036682128906 265916.063476562 6.21 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7760 213.039443969727 4484.9384765625 0.1 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7761 216.965789794922 140906.8125 3.29 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7762 222.872299194336 7800.2646484375 0.18 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7763 229.047004699707 251942.129150391 5.89 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7764 229.070068359375 19001.33984375 0.44 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7765 231.051651000977 4658.02783203125 0.11 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7766 234.976547241211 646214.5 15.1 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7767 236.980819702148 4265.56103515625 0.1 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7768 247.057281494141 127103.421875 2.97 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7769 254.277374267578 4000.4482421875 0.09 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7770 257.992340087891 16358.1513671875 0.38 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7771 291.002960205078 215600.65625 5.04 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7772 309.01318359375 13654.2666015625 0.32 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7773 364.542114257812 7702.04541015625 0.18 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7774 373.381866455078 3680.00122070312 0.09 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7775 404.745391845703 7731.3017578125 0.18 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7776 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7777 RECORD_TITLE: MZ:401.0617 | RT:34 | grpid:612 | file:2 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7778 MS$FOCUSED_ION: PRECURSOR_M/Z 401.061711739436 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7779 AC$CHROMATOGRAPHY: RETENTION_TIME 34.0415226 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7780 XCMS groupid (grpid): 612 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7781 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7782 PK$NUM_PEAK: 34 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7783 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7784 100.988807678223 40817.30859375 0.95 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7785 101.309761047363 3056.51245117188 0.07 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7786 116.995010375977 152569.53125 3.57 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7787 123.777450561523 8107.2958984375 0.19 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7788 124.999740600586 60736.56640625 1.42 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7789 136.999847412109 264684 6.19 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7790 140.010818481445 98667.4140625 2.31 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7791 140.450241088867 8842.6044921875 0.21 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7792 141.789901733398 3405.86743164062 0.08 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7793 155.010330200195 4279122.8828125 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7794 156.01383972168 16251.8291015625 0.38 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7795 157.014694213867 89120.7421875 2.08 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7796 173.020904541016 363787.670166016 8.5 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7797 175.025650024414 12913.28515625 0.3 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7798 178.950073242188 34890.97265625 0.82 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7799 195.501876831055 7862.93017578125 0.18 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7800 196.036972045898 55461.46484375 1.3 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7801 211.036682128906 265916.063476562 6.21 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7802 213.039443969727 4484.9384765625 0.1 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7803 216.965789794922 140906.8125 3.29 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7804 222.872299194336 7800.2646484375 0.18 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7805 229.047004699707 251942.129150391 5.89 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7806 229.070068359375 19001.33984375 0.44 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7807 231.051651000977 4658.02783203125 0.11 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7808 234.976547241211 646214.5 15.1 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7809 236.980819702148 4265.56103515625 0.1 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7810 247.057281494141 127103.421875 2.97 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7811 254.277374267578 4000.4482421875 0.09 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7812 257.992340087891 16358.1513671875 0.38 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7813 291.002960205078 215600.65625 5.04 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7814 309.01318359375 13654.2666015625 0.32 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7815 364.542114257812 7702.04541015625 0.18 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7816 373.381866455078 3680.00122070312 0.09 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7817 404.745391845703 7731.3017578125 0.18 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7818 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7819 RECORD_TITLE: MZ:404.1419 | RT:126.2 | grpid:618 | file:1 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7820 MS$FOCUSED_ION: PRECURSOR_M/Z 404.141901772703 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7821 AC$CHROMATOGRAPHY: RETENTION_TIME 126.186204 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7822 XCMS groupid (grpid): 618 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7823 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7824 PK$NUM_PEAK: 8 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7825 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7826 136.051010131836 4214.84375 1.66 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7827 136.061798095703 154229.46875 60.57 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7828 137.045776367188 254645.9375 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7829 152.028915405273 3706.61962890625 1.46 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7830 176.857574462891 3244.943359375 1.27 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7831 191.558868408203 3635.75805664062 1.43 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7832 215.409362792969 3903.9443359375 1.53 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7833 254.295944213867 4236.8359375 1.66 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7834 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7835 RECORD_TITLE: MZ:404.1419 | RT:126.2 | grpid:618 | file:1 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7836 MS$FOCUSED_ION: PRECURSOR_M/Z 404.141901772703 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7837 AC$CHROMATOGRAPHY: RETENTION_TIME 126.186204 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7838 XCMS groupid (grpid): 618 |
|
fc9bb7e49a3a
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 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7840 PK$NUM_PEAK: 8 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7841 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7842 136.051010131836 4214.84375 1.66 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7843 136.061798095703 154229.46875 60.57 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7844 137.045776367188 254645.9375 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7845 152.028915405273 3706.61962890625 1.46 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7846 176.857574462891 3244.943359375 1.27 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7847 191.558868408203 3635.75805664062 1.43 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7848 215.409362792969 3903.9443359375 1.53 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7849 254.295944213867 4236.8359375 1.66 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7850 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7851 RECORD_TITLE: MZ:404.1419 | RT:126.2 | grpid:618 | file:2 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7852 MS$FOCUSED_ION: PRECURSOR_M/Z 404.141901772703 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7853 AC$CHROMATOGRAPHY: RETENTION_TIME 126.186204 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7854 XCMS groupid (grpid): 618 |
|
fc9bb7e49a3a
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 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7856 PK$NUM_PEAK: 6 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7857 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7858 136.061737060547 186923.140625 67.72 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7859 137.045791625977 276035.78125 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7860 149.350723266602 2960.25122070312 1.07 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7861 155.559341430664 3138.55590820312 1.14 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7862 207.745498657227 2866.4462890625 1.04 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7863 305.455352783203 3670.34033203125 1.33 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7864 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7865 RECORD_TITLE: MZ:404.1419 | RT:126.2 | grpid:618 | file:2 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7866 MS$FOCUSED_ION: PRECURSOR_M/Z 404.141901772703 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7867 AC$CHROMATOGRAPHY: RETENTION_TIME 126.186204 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7868 XCMS groupid (grpid): 618 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7869 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7870 PK$NUM_PEAK: 6 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7871 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7872 136.061737060547 186923.140625 67.72 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7873 137.045791625977 276035.78125 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7874 149.350723266602 2960.25122070312 1.07 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7875 155.559341430664 3138.55590820312 1.14 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7876 207.745498657227 2866.4462890625 1.04 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7877 305.455352783203 3670.34033203125 1.33 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7878 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7879 RECORD_TITLE: MZ:407.2046 | RT:72.2 | grpid:625 | file:2 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7880 MS$FOCUSED_ION: PRECURSOR_M/Z 407.204554471595 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7881 AC$CHROMATOGRAPHY: RETENTION_TIME 72.171048 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7882 XCMS groupid (grpid): 625 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7883 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7884 PK$NUM_PEAK: 31 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7885 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7886 102.055419921875 29241.109375 5.9 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7887 104.053215026855 36839.7578125 7.44 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7888 109.02864074707 18452.52734375 3.72 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7889 111.270988464355 3561.50805664062 0.72 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7890 116.052536010742 3233.939453125 0.65 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7891 116.070777893066 13699.947265625 2.77 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7892 126.055152893066 96099.703125 19.4 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7893 127.451728820801 3604.42553710938 0.73 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7894 130.050262451172 4331.92431640625 0.87 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7895 132.102096557617 40127.29296875 8.1 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7896 138.054977416992 495429.3125 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7897 143.08235168457 5169.75390625 1.04 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7898 144.0654296875 110722.25 22.35 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7899 144.076126098633 5807.7001953125 1.17 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7900 159.075912475586 12614.484375 2.55 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7901 161.074722290039 4780.4208984375 0.96 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7902 163.027908325195 3617.16259765625 0.73 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7903 168.065414428711 104829.1171875 21.16 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7904 171.076583862305 7918.15283203125 1.6 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7905 173.12809753418 6250.19384765625 1.26 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7906 179.168167114258 3541.37573242188 0.71 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7907 186.075805664062 92374.96875 18.65 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7908 187.071105957031 19836.36328125 4 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7909 189.06901550293 20552.5390625 4.15 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7910 189.086181640625 6041.65234375 1.22 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7911 201.086990356445 23055.71875 4.65 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7912 270.140502929688 3485.42749023438 0.7 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7913 276.108459472656 36373.86328125 7.34 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7914 293.534423828125 3759.82836914062 0.76 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7915 302.942840576172 3783.8955078125 0.76 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7916 344.885498046875 3337.09936523438 0.67 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7917 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7918 RECORD_TITLE: MZ:407.2046 | RT:72.2 | grpid:625 | file:2 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7919 MS$FOCUSED_ION: PRECURSOR_M/Z 407.204554471595 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7920 AC$CHROMATOGRAPHY: RETENTION_TIME 72.171048 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7921 XCMS groupid (grpid): 625 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7922 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7923 PK$NUM_PEAK: 31 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7924 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7925 102.055419921875 29241.109375 5.9 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7926 104.053215026855 36839.7578125 7.44 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7927 109.02864074707 18452.52734375 3.72 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7928 111.270988464355 3561.50805664062 0.72 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7929 116.052536010742 3233.939453125 0.65 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7930 116.070777893066 13699.947265625 2.77 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7931 126.055152893066 96099.703125 19.4 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7932 127.451728820801 3604.42553710938 0.73 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7933 130.050262451172 4331.92431640625 0.87 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7934 132.102096557617 40127.29296875 8.1 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7935 138.054977416992 495429.3125 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7936 143.08235168457 5169.75390625 1.04 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7937 144.0654296875 110722.25 22.35 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7938 144.076126098633 5807.7001953125 1.17 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7939 159.075912475586 12614.484375 2.55 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7940 161.074722290039 4780.4208984375 0.96 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7941 163.027908325195 3617.16259765625 0.73 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7942 168.065414428711 104829.1171875 21.16 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7943 171.076583862305 7918.15283203125 1.6 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7944 173.12809753418 6250.19384765625 1.26 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7945 179.168167114258 3541.37573242188 0.71 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7946 186.075805664062 92374.96875 18.65 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7947 187.071105957031 19836.36328125 4 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7948 189.06901550293 20552.5390625 4.15 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7949 189.086181640625 6041.65234375 1.22 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7950 201.086990356445 23055.71875 4.65 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7951 270.140502929688 3485.42749023438 0.7 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7952 276.108459472656 36373.86328125 7.34 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7953 293.534423828125 3759.82836914062 0.76 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7954 302.942840576172 3783.8955078125 0.76 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7955 344.885498046875 3337.09936523438 0.67 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7956 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7957 RECORD_TITLE: MZ:414.2346 | RT:113.6 | grpid:641 | file:1 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7958 MS$FOCUSED_ION: PRECURSOR_M/Z 414.234577223874 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7959 AC$CHROMATOGRAPHY: RETENTION_TIME 113.597328 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7960 XCMS groupid (grpid): 641 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7961 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7962 PK$NUM_PEAK: 11 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7963 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7964 101.072120666504 3460.662109375 2.89 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7965 130.050003051758 23700.412109375 19.76 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7966 143.118316650391 6467.0634765625 5.39 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7967 147.076400756836 57435.73046875 47.89 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7968 171.114654541016 3607.89379882812 3.01 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7969 187.107620239258 12488.6435546875 10.41 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7970 212.347091674805 2953.01245117188 2.46 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7971 227.102462768555 13762.5078125 11.47 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7972 244.129257202148 119940.1875 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7973 291.886047363281 3740.046875 3.12 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7974 299.767974853516 4064.77465820312 3.39 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7975 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7976 RECORD_TITLE: MZ:414.2346 | RT:113.6 | grpid:641 | file:1 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7977 MS$FOCUSED_ION: PRECURSOR_M/Z 414.234577223874 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7978 AC$CHROMATOGRAPHY: RETENTION_TIME 113.597328 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7979 XCMS groupid (grpid): 641 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7980 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7981 PK$NUM_PEAK: 11 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7982 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7983 101.072120666504 3460.662109375 2.89 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7984 130.050003051758 23700.412109375 19.76 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7985 143.118316650391 6467.0634765625 5.39 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7986 147.076400756836 57435.73046875 47.89 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7987 171.114654541016 3607.89379882812 3.01 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7988 187.107620239258 12488.6435546875 10.41 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7989 212.347091674805 2953.01245117188 2.46 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7990 227.102462768555 13762.5078125 11.47 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7991 244.129257202148 119940.1875 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7992 291.886047363281 3740.046875 3.12 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7993 299.767974853516 4064.77465820312 3.39 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7994 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7995 RECORD_TITLE: MZ:417.2097 | RT:77.5 | grpid:651 | file:2 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7996 MS$FOCUSED_ION: PRECURSOR_M/Z 417.20974572592 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7997 AC$CHROMATOGRAPHY: RETENTION_TIME 77.474424 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7998 XCMS groupid (grpid): 651 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7999 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8000 PK$NUM_PEAK: 50 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8001 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8002 101.071632385254 21183.01171875 8.79 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8003 110.024345397949 4356.50732421875 1.81 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8004 115.050491333008 95092.8828125 39.44 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8005 115.058029174805 5113.0302734375 2.12 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8006 125.035163879395 3798.44970703125 1.58 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8007 128.03466796875 7057.6240234375 2.93 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8008 129.066192626953 14344.888671875 5.95 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8009 132.076797485352 241117.15625 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8010 136.039596557617 19952.20703125 8.27 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8011 138.091293334961 7483.42236328125 3.1 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8012 139.050628662109 14222.2255859375 5.9 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8013 139.131530761719 3395.9853515625 1.41 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8014 153.06575012207 6803.0126953125 2.82 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8015 156.076614379883 6305.38037109375 2.62 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8016 164.034301757812 8484.1953125 3.52 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8017 167.044952392578 8397.5390625 3.48 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8018 170.983276367188 3608.68090820312 1.5 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8019 181.060546875 27577.30859375 11.44 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8020 182.129257202148 23290.46875 9.66 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8021 183.112838745117 27057.6171875 11.22 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8022 183.282043457031 3755.23095703125 1.56 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8023 184.071365356445 23913.513671875 9.92 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8024 185.092208862305 13970.9443359375 5.79 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8025 198.087966918945 5590.96142578125 2.32 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8026 201.086441040039 5095.77099609375 2.11 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8027 209.055572509766 59876.9453125 24.83 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8028 211.107772827148 12975.3623046875 5.38 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8029 213.087799072266 5400.66064453125 2.24 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8030 215.114074707031 5145.68017578125 2.13 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8031 220.108795166016 14700.2373046875 6.1 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8032 221.093078613281 4728.6259765625 1.96 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8033 226.082061767578 96564.5859375 40.05 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8034 226.604354858398 3716.79638671875 1.54 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8035 237.134994506836 4390.27392578125 1.82 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8036 238.118011474609 13940.3623046875 5.78 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8037 243.108535766602 103141.328125 42.78 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8038 263.102355957031 24783.052734375 10.28 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8039 266.114227294922 19456.26953125 8.07 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8040 279.144805908203 32799.67578125 13.6 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8041 280.128326416016 29510.955078125 12.24 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8042 283.140472412109 6341.9501953125 2.63 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8043 285.156372070312 5746.60009765625 2.38 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8044 303.174591064453 3790.90161132812 1.57 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8045 304.180053710938 17383.96875 7.21 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8046 308.125305175781 15675.556640625 6.5 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8047 324.118499755859 8504.177734375 3.53 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8048 325.152770996094 6104.4619140625 2.53 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8049 342.175933837891 6313.189453125 2.62 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8050 372.336669921875 3619.55493164062 1.5 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8051 382.172210693359 4940.5458984375 2.05 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8052 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8053 RECORD_TITLE: MZ:417.2097 | RT:77.5 | grpid:651 | file:2 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8054 MS$FOCUSED_ION: PRECURSOR_M/Z 417.20974572592 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8055 AC$CHROMATOGRAPHY: RETENTION_TIME 77.474424 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8056 XCMS groupid (grpid): 651 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8057 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8058 PK$NUM_PEAK: 50 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8059 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8060 101.071632385254 21183.01171875 8.79 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8061 110.024345397949 4356.50732421875 1.81 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8062 115.050491333008 95092.8828125 39.44 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8063 115.058029174805 5113.0302734375 2.12 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8064 125.035163879395 3798.44970703125 1.58 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8065 128.03466796875 7057.6240234375 2.93 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8066 129.066192626953 14344.888671875 5.95 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8067 132.076797485352 241117.15625 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8068 136.039596557617 19952.20703125 8.27 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8069 138.091293334961 7483.42236328125 3.1 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8070 139.050628662109 14222.2255859375 5.9 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8071 139.131530761719 3395.9853515625 1.41 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8072 153.06575012207 6803.0126953125 2.82 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8073 156.076614379883 6305.38037109375 2.62 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8074 164.034301757812 8484.1953125 3.52 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8075 167.044952392578 8397.5390625 3.48 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8076 170.983276367188 3608.68090820312 1.5 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8077 181.060546875 27577.30859375 11.44 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8078 182.129257202148 23290.46875 9.66 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8079 183.112838745117 27057.6171875 11.22 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8080 183.282043457031 3755.23095703125 1.56 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8081 184.071365356445 23913.513671875 9.92 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8082 185.092208862305 13970.9443359375 5.79 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8083 198.087966918945 5590.96142578125 2.32 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8084 201.086441040039 5095.77099609375 2.11 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8085 209.055572509766 59876.9453125 24.83 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8086 211.107772827148 12975.3623046875 5.38 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8087 213.087799072266 5400.66064453125 2.24 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8088 215.114074707031 5145.68017578125 2.13 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8089 220.108795166016 14700.2373046875 6.1 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8090 221.093078613281 4728.6259765625 1.96 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8091 226.082061767578 96564.5859375 40.05 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8092 226.604354858398 3716.79638671875 1.54 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8093 237.134994506836 4390.27392578125 1.82 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8094 238.118011474609 13940.3623046875 5.78 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8095 243.108535766602 103141.328125 42.78 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8096 263.102355957031 24783.052734375 10.28 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8097 266.114227294922 19456.26953125 8.07 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8098 279.144805908203 32799.67578125 13.6 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8099 280.128326416016 29510.955078125 12.24 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8100 283.140472412109 6341.9501953125 2.63 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8101 285.156372070312 5746.60009765625 2.38 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8102 303.174591064453 3790.90161132812 1.57 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8103 304.180053710938 17383.96875 7.21 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8104 308.125305175781 15675.556640625 6.5 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8105 324.118499755859 8504.177734375 3.53 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8106 325.152770996094 6104.4619140625 2.53 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8107 342.175933837891 6313.189453125 2.62 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8108 372.336669921875 3619.55493164062 1.5 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8109 382.172210693359 4940.5458984375 2.05 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8110 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8111 RECORD_TITLE: MZ:422.2455 | RT:77.3 | grpid:661 | file:1 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8112 MS$FOCUSED_ION: PRECURSOR_M/Z 422.245503008018 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8113 AC$CHROMATOGRAPHY: RETENTION_TIME 77.267322 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8114 XCMS groupid (grpid): 661 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8115 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8116 PK$NUM_PEAK: 11 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8117 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8118 102.055618286133 3558.69995117188 20.47 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8119 120.081420898438 3910.62768554688 22.49 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8120 132.10188293457 4685.72998046875 26.95 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8121 139.996002197266 3161.169921875 18.18 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8122 164.107666015625 5133.0185546875 29.52 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8123 169.504211425781 3314.57250976562 19.06 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8124 230.140182495117 3358.00244140625 19.31 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8125 241.255187988281 3994.02172851562 22.97 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8126 243.135986328125 4222.09765625 24.28 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8127 339.154357910156 17388.83984375 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8128 387.176788330078 4423.681640625 25.44 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8129 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8130 RECORD_TITLE: MZ:422.2455 | RT:77.3 | grpid:661 | file:1 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8131 MS$FOCUSED_ION: PRECURSOR_M/Z 422.245503008018 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8132 AC$CHROMATOGRAPHY: RETENTION_TIME 77.267322 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8133 XCMS groupid (grpid): 661 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8134 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8135 PK$NUM_PEAK: 11 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8136 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8137 102.055618286133 3558.69995117188 20.47 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8138 120.081420898438 3910.62768554688 22.49 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8139 132.10188293457 4685.72998046875 26.95 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8140 139.996002197266 3161.169921875 18.18 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8141 164.107666015625 5133.0185546875 29.52 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8142 169.504211425781 3314.57250976562 19.06 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8143 230.140182495117 3358.00244140625 19.31 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8144 241.255187988281 3994.02172851562 22.97 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8145 243.135986328125 4222.09765625 24.28 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8146 339.154357910156 17388.83984375 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8147 387.176788330078 4423.681640625 25.44 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8148 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8149 RECORD_TITLE: MZ:422.2455 | RT:77.3 | grpid:661 | file:2 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8150 MS$FOCUSED_ION: PRECURSOR_M/Z 422.245503008018 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8151 AC$CHROMATOGRAPHY: RETENTION_TIME 77.267322 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8152 XCMS groupid (grpid): 661 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8153 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8154 PK$NUM_PEAK: 12 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8155 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8156 120.080558776855 4530.3798828125 17.86 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8157 132.1025390625 3071.50122070312 12.11 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8158 152.552886962891 3656.74609375 14.41 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8159 164.107437133789 5435.71533203125 21.43 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8160 174.759521484375 3360.31762695312 13.25 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8161 243.135345458984 3760.61889648438 14.82 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8162 244.20588684082 3930.2548828125 15.49 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8163 267.45654296875 4267.03759765625 16.82 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8164 339.155120849609 25369.70703125 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8165 404.268035888672 3815.27880859375 15.04 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8166 438.548736572266 3631.70874023438 14.32 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8167 442.898986816406 3885.36962890625 15.31 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8168 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8169 RECORD_TITLE: MZ:422.2455 | RT:77.3 | grpid:661 | file:2 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8170 MS$FOCUSED_ION: PRECURSOR_M/Z 422.245503008018 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8171 AC$CHROMATOGRAPHY: RETENTION_TIME 77.267322 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8172 XCMS groupid (grpid): 661 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8173 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8174 PK$NUM_PEAK: 12 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8175 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8176 120.080558776855 4530.3798828125 17.86 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8177 132.1025390625 3071.50122070312 12.11 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8178 152.552886962891 3656.74609375 14.41 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8179 164.107437133789 5435.71533203125 21.43 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8180 174.759521484375 3360.31762695312 13.25 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8181 243.135345458984 3760.61889648438 14.82 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8182 244.20588684082 3930.2548828125 15.49 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8183 267.45654296875 4267.03759765625 16.82 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8184 339.155120849609 25369.70703125 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8185 404.268035888672 3815.27880859375 15.04 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8186 438.548736572266 3631.70874023438 14.32 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8187 442.898986816406 3885.36962890625 15.31 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8188 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8189 RECORD_TITLE: MZ:423.1908 | RT:84.2 | grpid:664 | file:1 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8190 MS$FOCUSED_ION: PRECURSOR_M/Z 423.190755443941 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8191 AC$CHROMATOGRAPHY: RETENTION_TIME 84.215802 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8192 XCMS groupid (grpid): 664 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8193 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8194 PK$NUM_PEAK: 25 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8195 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8196 101.071411132812 46732.83203125 5.16 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8197 102.055374145508 88983.625 9.83 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8198 103.054443359375 24983.80859375 2.76 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8199 105.530052185059 3419.52978515625 0.38 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8200 110.183616638184 3628.88647460938 0.4 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8201 120.081016540527 905217.25 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8202 129.066268920898 31941.962890625 3.53 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8203 130.049987792969 396376.3125 43.79 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8204 131.049407958984 5914.91162109375 0.65 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8205 147.076416015625 280807.375 31.02 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8206 172.265274047852 3955.26342773438 0.44 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8207 186.091079711914 48435.109375 5.35 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8208 195.076812744141 14915.5986328125 1.65 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8209 204.101287841797 5574.19091796875 0.62 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8210 206.006805419922 3512.30712890625 0.39 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8211 213.086929321289 7143.0380859375 0.79 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8212 223.071517944336 24099.07421875 2.66 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8213 231.111724853516 4500.54296875 0.5 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8214 240.097366333008 25176.005859375 2.78 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8215 241.081497192383 67114.1484375 7.41 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8216 249.123306274414 153377.234375 16.94 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8217 258.108184814453 74684.1171875 8.25 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8218 276.116180419922 4201.1201171875 0.46 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8219 277.118377685547 22414.9140625 2.48 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8220 410.809265136719 3803.65478515625 0.42 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8221 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8222 RECORD_TITLE: MZ:423.1908 | RT:84.2 | grpid:664 | file:1 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8223 MS$FOCUSED_ION: PRECURSOR_M/Z 423.190755443941 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8224 AC$CHROMATOGRAPHY: RETENTION_TIME 84.215802 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8225 XCMS groupid (grpid): 664 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8226 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8227 PK$NUM_PEAK: 25 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8228 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8229 101.071411132812 46732.83203125 5.16 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8230 102.055374145508 88983.625 9.83 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8231 103.054443359375 24983.80859375 2.76 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8232 105.530052185059 3419.52978515625 0.38 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8233 110.183616638184 3628.88647460938 0.4 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8234 120.081016540527 905217.25 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8235 129.066268920898 31941.962890625 3.53 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8236 130.049987792969 396376.3125 43.79 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8237 131.049407958984 5914.91162109375 0.65 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8238 147.076416015625 280807.375 31.02 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8239 172.265274047852 3955.26342773438 0.44 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8240 186.091079711914 48435.109375 5.35 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8241 195.076812744141 14915.5986328125 1.65 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8242 204.101287841797 5574.19091796875 0.62 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8243 206.006805419922 3512.30712890625 0.39 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8244 213.086929321289 7143.0380859375 0.79 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8245 223.071517944336 24099.07421875 2.66 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8246 231.111724853516 4500.54296875 0.5 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8247 240.097366333008 25176.005859375 2.78 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8248 241.081497192383 67114.1484375 7.41 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8249 249.123306274414 153377.234375 16.94 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8250 258.108184814453 74684.1171875 8.25 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8251 276.116180419922 4201.1201171875 0.46 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8252 277.118377685547 22414.9140625 2.48 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8253 410.809265136719 3803.65478515625 0.42 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8254 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8255 RECORD_TITLE: MZ:429.1368 | RT:71.2 | grpid:678 | file:1 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8256 MS$FOCUSED_ION: PRECURSOR_M/Z 429.13678581444 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8257 AC$CHROMATOGRAPHY: RETENTION_TIME 71.233434 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8258 XCMS groupid (grpid): 678 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8259 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8260 PK$NUM_PEAK: 43 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8261 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8262 100.719017028809 3763.74951171875 0.57 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8263 109.076595306396 20442.921875 3.11 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8264 110.071876525879 18479.02734375 2.81 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8265 112.021877288818 72387.22265625 11.01 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8266 114.025039672852 16686.34765625 2.54 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8267 114.037719726562 11003.4890136719 1.67 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8268 122.071762084961 6811.41235351562 1.04 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8269 126.549896240234 3256.05395507812 0.5 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8270 127.032592773438 448684.75 68.27 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8271 128.040390014648 657266.875 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8272 129.048179626465 55547.58203125 8.45 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8273 136.077117919922 5078.5029296875 0.77 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8274 136.087356567383 18493.7109375 2.81 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8275 137.094940185547 28210.2763671875 4.29 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8276 138.102676391602 25823.4453125 3.93 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8277 139.032333374023 74346.296875 11.31 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8278 140.147064208984 3347.60473632812 0.51 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8279 141.048072814941 133764.0234375 20.35 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8280 145.079452514648 3976.85620117188 0.61 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8281 155.081420898438 31612.9091796875 4.81 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8282 156.059188842773 3926.3798828125 0.6 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8283 160.03018951416 27253.384765625 4.15 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8284 164.081840515137 6521.48608398438 0.99 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8285 167.02758026123 7541.39672851562 1.15 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8286 168.059814453125 8062.05712890625 1.23 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8287 169.067504882812 5221.84265136719 0.79 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8288 170.074600219727 141300.9453125 21.5 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8289 182.092414855957 361618.75 55.02 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8290 184.108306884766 20098.4853515625 3.06 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8291 185.037666320801 78874.28125 12 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8292 200.7451171875 3717.48681640625 0.57 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8293 208.914321899414 3762.73291015625 0.57 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8294 212.58805847168 3808.69091796875 0.58 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8295 214.06436920166 39215.94140625 5.97 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8296 215.071594238281 30723.140625 4.67 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8297 215.073211669922 13744.177734375 2.09 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8298 216.080017089844 236565.921875 35.99 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8299 217.347595214844 4307.0146484375 0.66 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8300 220.97737121582 4221.736328125 0.64 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8301 328.149810791016 4235.30517578125 0.64 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8302 429.13703918457 48336.736328125 7.35 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8303 429.189208984375 7144.87353515625 1.09 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8304 443.335296630859 3914.4736328125 0.6 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8305 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8306 RECORD_TITLE: MZ:429.1368 | RT:71.2 | grpid:678 | file:1 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8307 MS$FOCUSED_ION: PRECURSOR_M/Z 429.13678581444 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8308 AC$CHROMATOGRAPHY: RETENTION_TIME 71.233434 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8309 XCMS groupid (grpid): 678 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8310 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8311 PK$NUM_PEAK: 43 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8312 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8313 100.719017028809 3763.74951171875 0.57 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8314 109.076595306396 20442.921875 3.11 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8315 110.071876525879 18479.02734375 2.81 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8316 112.021877288818 72387.22265625 11.01 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8317 114.025039672852 16686.34765625 2.54 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8318 114.037719726562 11003.4890136719 1.67 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8319 122.071762084961 6811.41235351562 1.04 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8320 126.549896240234 3256.05395507812 0.5 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8321 127.032592773438 448684.75 68.27 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8322 128.040390014648 657266.875 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8323 129.048179626465 55547.58203125 8.45 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8324 136.077117919922 5078.5029296875 0.77 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8325 136.087356567383 18493.7109375 2.81 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8326 137.094940185547 28210.2763671875 4.29 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8327 138.102676391602 25823.4453125 3.93 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8328 139.032333374023 74346.296875 11.31 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8329 140.147064208984 3347.60473632812 0.51 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8330 141.048072814941 133764.0234375 20.35 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8331 145.079452514648 3976.85620117188 0.61 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8332 155.081420898438 31612.9091796875 4.81 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8333 156.059188842773 3926.3798828125 0.6 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8334 160.03018951416 27253.384765625 4.15 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8335 164.081840515137 6521.48608398438 0.99 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8336 167.02758026123 7541.39672851562 1.15 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8337 168.059814453125 8062.05712890625 1.23 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8338 169.067504882812 5221.84265136719 0.79 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8339 170.074600219727 141300.9453125 21.5 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8340 182.092414855957 361618.75 55.02 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8341 184.108306884766 20098.4853515625 3.06 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8342 185.037666320801 78874.28125 12 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8343 200.7451171875 3717.48681640625 0.57 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8344 208.914321899414 3762.73291015625 0.57 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8345 212.58805847168 3808.69091796875 0.58 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8346 214.06436920166 39215.94140625 5.97 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8347 215.071594238281 30723.140625 4.67 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8348 215.073211669922 13744.177734375 2.09 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8349 216.080017089844 236565.921875 35.99 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8350 217.347595214844 4307.0146484375 0.66 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8351 220.97737121582 4221.736328125 0.64 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8352 328.149810791016 4235.30517578125 0.64 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8353 429.13703918457 48336.736328125 7.35 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8354 429.189208984375 7144.87353515625 1.09 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8355 443.335296630859 3914.4736328125 0.6 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8356 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8357 RECORD_TITLE: MZ:429.1368 | RT:71.2 | grpid:678 | file:2 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8358 MS$FOCUSED_ION: PRECURSOR_M/Z 429.13678581444 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8359 AC$CHROMATOGRAPHY: RETENTION_TIME 71.233434 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8360 XCMS groupid (grpid): 678 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8361 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8362 PK$NUM_PEAK: 45 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8363 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8364 100.022125244141 4625.44140625 0.61 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8365 107.576271057129 4735.4990234375 0.62 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8366 109.076454162598 20519.05859375 2.68 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8367 110.071571350098 11008.3984375 1.44 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8368 110.401245117188 3418.24340820312 0.45 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8369 112.021862030029 87604.24609375 11.46 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8370 113.366981506348 3165.77563476562 0.41 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8371 114.024726867676 6157.892578125 0.81 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8372 114.03742980957 12645.9365234375 1.65 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8373 115.541198730469 3385.00244140625 0.44 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8374 121.469749450684 3152.97924804688 0.41 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8375 122.071521759033 6221.669921875 0.81 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8376 126.233474731445 3327.49194335938 0.44 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8377 127.032573699951 493592.96875 64.58 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8378 128.040382385254 764253.75 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8379 129.048187255859 59057.240234375 7.73 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8380 129.066558837891 4622.013671875 0.6 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8381 131.77490234375 3932.56909179688 0.51 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8382 136.077026367188 5215.736328125 0.68 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8383 136.086791992188 24540.8828125 3.21 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8384 137.094818115234 36608.92578125 4.79 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8385 138.102523803711 30790.3271484375 4.03 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8386 139.032440185547 79956.83984375 10.46 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8387 140.118263244629 5251.27661132812 0.69 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8388 141.048011779785 153528.84375 20.09 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8389 142.019592285156 3923.31298828125 0.51 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8390 155.081085205078 37450.2578125 4.9 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8391 155.081878662109 42803.56640625 5.6 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8392 156.059112548828 3953.724609375 0.52 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8393 158.311553955078 3326.94677734375 0.44 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8394 160.02978515625 27990.0966796875 3.66 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8395 160.364395141602 3934.6845703125 0.51 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8396 164.081848144531 7248.45434570312 0.95 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8397 167.027755737305 11118.9333496094 1.45 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8398 168.05908203125 4920.30078125 0.64 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8399 170.074562072754 167438.1875 21.91 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8400 182.092376708984 389782 51 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8401 184.107955932617 24972.748046875 3.27 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8402 185.037872314453 87189.30859375 11.41 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8403 192.237030029297 4258.80029296875 0.56 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8404 214.063896179199 41023.2734375 5.37 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8405 215.072593688965 25522.125 3.34 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8406 216.080032348633 244054.8359375 31.93 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8407 429.137741088867 48286.349609375 6.32 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8408 429.190673828125 6378.42626953125 0.83 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8409 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8410 RECORD_TITLE: MZ:429.1368 | RT:71.2 | grpid:678 | file:2 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8411 MS$FOCUSED_ION: PRECURSOR_M/Z 429.13678581444 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8412 AC$CHROMATOGRAPHY: RETENTION_TIME 71.233434 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8413 XCMS groupid (grpid): 678 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8414 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8415 PK$NUM_PEAK: 45 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8416 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8417 100.022125244141 4625.44140625 0.61 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8418 107.576271057129 4735.4990234375 0.62 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8419 109.076454162598 20519.05859375 2.68 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8420 110.071571350098 11008.3984375 1.44 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8421 110.401245117188 3418.24340820312 0.45 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8422 112.021862030029 87604.24609375 11.46 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8423 113.366981506348 3165.77563476562 0.41 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8424 114.024726867676 6157.892578125 0.81 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8425 114.03742980957 12645.9365234375 1.65 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8426 115.541198730469 3385.00244140625 0.44 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8427 121.469749450684 3152.97924804688 0.41 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8428 122.071521759033 6221.669921875 0.81 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8429 126.233474731445 3327.49194335938 0.44 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8430 127.032573699951 493592.96875 64.58 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8431 128.040382385254 764253.75 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8432 129.048187255859 59057.240234375 7.73 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8433 129.066558837891 4622.013671875 0.6 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8434 131.77490234375 3932.56909179688 0.51 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8435 136.077026367188 5215.736328125 0.68 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8436 136.086791992188 24540.8828125 3.21 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8437 137.094818115234 36608.92578125 4.79 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8438 138.102523803711 30790.3271484375 4.03 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8439 139.032440185547 79956.83984375 10.46 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8440 140.118263244629 5251.27661132812 0.69 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8441 141.048011779785 153528.84375 20.09 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8442 142.019592285156 3923.31298828125 0.51 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8443 155.081085205078 37450.2578125 4.9 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8444 155.081878662109 42803.56640625 5.6 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8445 156.059112548828 3953.724609375 0.52 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8446 158.311553955078 3326.94677734375 0.44 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8447 160.02978515625 27990.0966796875 3.66 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8448 160.364395141602 3934.6845703125 0.51 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8449 164.081848144531 7248.45434570312 0.95 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8450 167.027755737305 11118.9333496094 1.45 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8451 168.05908203125 4920.30078125 0.64 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8452 170.074562072754 167438.1875 21.91 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8453 182.092376708984 389782 51 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8454 184.107955932617 24972.748046875 3.27 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8455 185.037872314453 87189.30859375 11.41 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8456 192.237030029297 4258.80029296875 0.56 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8457 214.063896179199 41023.2734375 5.37 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8458 215.072593688965 25522.125 3.34 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8459 216.080032348633 244054.8359375 31.93 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8460 429.137741088867 48286.349609375 6.32 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8461 429.190673828125 6378.42626953125 0.83 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8462 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8463 RECORD_TITLE: MZ:436.215 | RT:113.6 | grpid:699 | file:1 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8464 MS$FOCUSED_ION: PRECURSOR_M/Z 436.215002909334 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8465 AC$CHROMATOGRAPHY: RETENTION_TIME 113.597328 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8466 XCMS groupid (grpid): 699 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8467 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8468 PK$NUM_PEAK: 10 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8469 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8470 114.550689697266 3498.04321289062 3.12 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8471 126.055046081543 4136.9013671875 3.69 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8472 198.05632019043 3261.10668945312 2.91 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8473 211.105438232422 20831.2734375 18.6 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8474 238.933578491211 3566.369140625 3.18 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8475 308.157409667969 49625.7265625 44.32 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8476 308.725555419922 3355.22119140625 3 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8477 391.194641113281 36035.12109375 32.18 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8478 419.187896728516 22114.62890625 19.75 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8479 436.216918945312 111983.46875 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8480 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8481 RECORD_TITLE: MZ:436.215 | RT:113.6 | grpid:699 | file:1 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8482 MS$FOCUSED_ION: PRECURSOR_M/Z 436.215002909334 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8483 AC$CHROMATOGRAPHY: RETENTION_TIME 113.597328 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8484 XCMS groupid (grpid): 699 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8485 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8486 PK$NUM_PEAK: 10 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8487 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8488 114.550689697266 3498.04321289062 3.12 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8489 126.055046081543 4136.9013671875 3.69 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8490 198.05632019043 3261.10668945312 2.91 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8491 211.105438232422 20831.2734375 18.6 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8492 238.933578491211 3566.369140625 3.18 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8493 308.157409667969 49625.7265625 44.32 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8494 308.725555419922 3355.22119140625 3 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8495 391.194641113281 36035.12109375 32.18 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8496 419.187896728516 22114.62890625 19.75 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8497 436.216918945312 111983.46875 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8498 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8499 RECORD_TITLE: MZ:437.262 | RT:82.7 | grpid:705 | file:1 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8500 MS$FOCUSED_ION: PRECURSOR_M/Z 437.26196926482 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8501 AC$CHROMATOGRAPHY: RETENTION_TIME 82.686066 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8502 XCMS groupid (grpid): 705 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8503 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8504 PK$NUM_PEAK: 10 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8505 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8506 132.101959228516 26250.365234375 82.02 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8507 147.764419555664 3555.626953125 11.11 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8508 173.128616333008 14910.4609375 46.59 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8509 219.134216308594 19101.32421875 59.68 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8510 237.121032714844 7274.22998046875 22.73 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8511 241.079193115234 6411.599609375 20.03 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8512 272.117065429688 3352.75439453125 10.48 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8513 338.132080078125 19161.25 59.87 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8514 434.605041503906 3691.54809570312 11.53 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8515 437.200073242188 32005.328125 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8516 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8517 RECORD_TITLE: MZ:437.262 | RT:82.7 | grpid:705 | file:1 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8518 MS$FOCUSED_ION: PRECURSOR_M/Z 437.26196926482 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8519 AC$CHROMATOGRAPHY: RETENTION_TIME 82.686066 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8520 XCMS groupid (grpid): 705 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8521 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8522 PK$NUM_PEAK: 10 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8523 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8524 132.101959228516 26250.365234375 82.02 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8525 147.764419555664 3555.626953125 11.11 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8526 173.128616333008 14910.4609375 46.59 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8527 219.134216308594 19101.32421875 59.68 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8528 237.121032714844 7274.22998046875 22.73 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8529 241.079193115234 6411.599609375 20.03 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8530 272.117065429688 3352.75439453125 10.48 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8531 338.132080078125 19161.25 59.87 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8532 434.605041503906 3691.54809570312 11.53 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8533 437.200073242188 32005.328125 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8534 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8535 RECORD_TITLE: MZ:437.262 | RT:82.7 | grpid:705 | file:2 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8536 MS$FOCUSED_ION: PRECURSOR_M/Z 437.26196926482 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8537 AC$CHROMATOGRAPHY: RETENTION_TIME 82.686066 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8538 XCMS groupid (grpid): 705 |
|
fc9bb7e49a3a
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 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8540 PK$NUM_PEAK: 17 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8541 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8542 101.581962585449 3264.87109375 10.21 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8543 116.071166992188 3482.65063476562 10.89 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8544 132.102020263672 19473.271484375 60.91 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8545 140.506622314453 3661.59790039062 11.45 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8546 166.32194519043 3513.9169921875 10.99 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8547 173.128753662109 15184.3408203125 47.5 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8548 190.630355834961 3462.4130859375 10.83 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8549 219.134170532227 18775.388671875 58.73 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8550 223.021774291992 3237.18212890625 10.13 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8551 237.121124267578 13793.3681640625 43.15 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8552 241.079345703125 14506.5341796875 45.38 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8553 272.986541748047 3474.1796875 10.87 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8554 298.806793212891 3269.32861328125 10.23 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8555 319.409149169922 3631.1552734375 11.36 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8556 328.813140869141 3904.8525390625 12.21 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8557 338.132141113281 23234.115234375 72.68 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8558 437.202575683594 31969.298828125 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8559 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8560 RECORD_TITLE: MZ:437.262 | RT:82.7 | grpid:705 | file:2 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8561 MS$FOCUSED_ION: PRECURSOR_M/Z 437.26196926482 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8562 AC$CHROMATOGRAPHY: RETENTION_TIME 82.686066 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8563 XCMS groupid (grpid): 705 |
|
fc9bb7e49a3a
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 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8565 PK$NUM_PEAK: 17 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8566 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8567 101.581962585449 3264.87109375 10.21 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8568 116.071166992188 3482.65063476562 10.89 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8569 132.102020263672 19473.271484375 60.91 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8570 140.506622314453 3661.59790039062 11.45 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8571 166.32194519043 3513.9169921875 10.99 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8572 173.128753662109 15184.3408203125 47.5 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8573 190.630355834961 3462.4130859375 10.83 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8574 219.134170532227 18775.388671875 58.73 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8575 223.021774291992 3237.18212890625 10.13 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8576 237.121124267578 13793.3681640625 43.15 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8577 241.079345703125 14506.5341796875 45.38 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8578 272.986541748047 3474.1796875 10.87 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8579 298.806793212891 3269.32861328125 10.23 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8580 319.409149169922 3631.1552734375 11.36 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8581 328.813140869141 3904.8525390625 12.21 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8582 338.132141113281 23234.115234375 72.68 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8583 437.202575683594 31969.298828125 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8584 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8585 RECORD_TITLE: MZ:452.192 | RT:112.8 | grpid:739 | file:1 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8586 MS$FOCUSED_ION: PRECURSOR_M/Z 452.191973065994 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8587 AC$CHROMATOGRAPHY: RETENTION_TIME 112.786446 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8588 XCMS groupid (grpid): 739 |
|
fc9bb7e49a3a
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 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8590 PK$NUM_PEAK: 4 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8591 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8592 173.128677368164 4687.68310546875 10.24 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8593 242.185913085938 4649.87841796875 10.16 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8594 431.172515869141 3883.38818359375 8.48 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8595 452.188873291016 45768.69140625 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8596 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8597 RECORD_TITLE: MZ:452.192 | RT:112.8 | grpid:739 | file:1 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8598 MS$FOCUSED_ION: PRECURSOR_M/Z 452.191973065994 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8599 AC$CHROMATOGRAPHY: RETENTION_TIME 112.786446 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8600 XCMS groupid (grpid): 739 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8601 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8602 PK$NUM_PEAK: 4 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8603 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8604 173.128677368164 4687.68310546875 10.24 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8605 242.185913085938 4649.87841796875 10.16 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8606 431.172515869141 3883.38818359375 8.48 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8607 452.188873291016 45768.69140625 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8608 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8609 RECORD_TITLE: MZ:452.192 | RT:112.8 | grpid:739 | file:2 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8610 MS$FOCUSED_ION: PRECURSOR_M/Z 452.191973065994 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8611 AC$CHROMATOGRAPHY: RETENTION_TIME 112.786446 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8612 XCMS groupid (grpid): 739 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8613 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8614 PK$NUM_PEAK: 7 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8615 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8616 102.97029876709 3784.47021484375 9.16 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8617 104.049896240234 3122.90185546875 7.56 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8618 116.335182189941 3076.12817382812 7.45 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8619 116.576026916504 2942.82885742188 7.12 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8620 173.128372192383 19179.625 46.43 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8621 183.460662841797 3233.1337890625 7.83 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8622 452.1904296875 41310.8359375 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8623 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8624 RECORD_TITLE: MZ:452.192 | RT:112.8 | grpid:739 | file:2 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8625 MS$FOCUSED_ION: PRECURSOR_M/Z 452.191973065994 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8626 AC$CHROMATOGRAPHY: RETENTION_TIME 112.786446 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8627 XCMS groupid (grpid): 739 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8628 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8629 PK$NUM_PEAK: 7 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8630 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8631 102.97029876709 3784.47021484375 9.16 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8632 104.049896240234 3122.90185546875 7.56 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8633 116.335182189941 3076.12817382812 7.45 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8634 116.576026916504 2942.82885742188 7.12 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8635 173.128372192383 19179.625 46.43 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8636 183.460662841797 3233.1337890625 7.83 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8637 452.1904296875 41310.8359375 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8638 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8639 RECORD_TITLE: MZ:461.2071 | RT:76.5 | grpid:757 | file:1 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8640 MS$FOCUSED_ION: PRECURSOR_M/Z 461.207113324101 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8641 AC$CHROMATOGRAPHY: RETENTION_TIME 76.520544 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8642 XCMS groupid (grpid): 757 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8643 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8644 PK$NUM_PEAK: 6 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8645 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8646 112.037246704102 77182.6015625 4.57 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8647 150.591278076172 5008.4482421875 0.3 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8648 153.052520751953 54224.6796875 3.21 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8649 194.079025268555 6284.025390625 0.37 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8650 224.089447021484 78458.5234375 4.65 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8651 242.099761962891 1689058.875 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8652 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8653 RECORD_TITLE: MZ:461.2071 | RT:76.5 | grpid:757 | file:1 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8654 MS$FOCUSED_ION: PRECURSOR_M/Z 461.207113324101 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8655 AC$CHROMATOGRAPHY: RETENTION_TIME 76.520544 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8656 XCMS groupid (grpid): 757 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8657 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8658 PK$NUM_PEAK: 6 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8659 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8660 112.037246704102 77182.6015625 4.57 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8661 150.591278076172 5008.4482421875 0.3 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8662 153.052520751953 54224.6796875 3.21 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8663 194.079025268555 6284.025390625 0.37 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8664 224.089447021484 78458.5234375 4.65 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8665 242.099761962891 1689058.875 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8666 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8667 RECORD_TITLE: MZ:461.2071 | RT:76.5 | grpid:757 | file:2 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8668 MS$FOCUSED_ION: PRECURSOR_M/Z 461.207113324101 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8669 AC$CHROMATOGRAPHY: RETENTION_TIME 76.520544 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8670 XCMS groupid (grpid): 757 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8671 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8672 PK$NUM_PEAK: 9 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8673 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8674 108.938446044922 3487.57153320312 0.29 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8675 110.10814666748 3973.40063476562 0.33 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8676 112.037155151367 50994.21484375 4.27 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8677 143.304336547852 4037.703125 0.34 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8678 153.052108764648 29027.23828125 2.43 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8679 194.078918457031 4671.78271484375 0.39 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8680 224.089462280273 48872.16015625 4.09 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8681 242.09977722168 1194436.5 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8682 483.839416503906 4609.6552734375 0.39 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8683 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8684 RECORD_TITLE: MZ:461.2071 | RT:76.5 | grpid:757 | file:2 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8685 MS$FOCUSED_ION: PRECURSOR_M/Z 461.207113324101 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8686 AC$CHROMATOGRAPHY: RETENTION_TIME 76.520544 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8687 XCMS groupid (grpid): 757 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8688 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8689 PK$NUM_PEAK: 9 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8690 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8691 108.938446044922 3487.57153320312 0.29 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8692 110.10814666748 3973.40063476562 0.33 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8693 112.037155151367 50994.21484375 4.27 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8694 143.304336547852 4037.703125 0.34 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8695 153.052108764648 29027.23828125 2.43 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8696 194.078918457031 4671.78271484375 0.39 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8697 224.089462280273 48872.16015625 4.09 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8698 242.09977722168 1194436.5 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8699 483.839416503906 4609.6552734375 0.39 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8700 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8701 RECORD_TITLE: MZ:462.2212 | RT:57.7 | grpid:759 | file:2 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8702 MS$FOCUSED_ION: PRECURSOR_M/Z 462.22122959389 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8703 AC$CHROMATOGRAPHY: RETENTION_TIME 57.7060356 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8704 XCMS groupid (grpid): 759 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8705 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8706 PK$NUM_PEAK: 33 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8707 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8708 102.055290222168 25408.091796875 7.69 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8709 114.073616027832 4833.80419921875 1.46 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8710 115.087074279785 4629.81689453125 1.4 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8711 116.070701599121 7154.1357421875 2.16 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8712 118.086708068848 16256.9169921875 4.92 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8713 120.065902709961 45274.0078125 13.7 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8714 127.086898803711 6351.52294921875 1.92 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8715 129.102325439453 330451.9375 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8716 130.050109863281 20902.541015625 6.33 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8717 139.086563110352 4282.58251953125 1.3 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8718 141.065887451172 19794.552734375 5.99 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8719 143.081634521484 4180.470703125 1.27 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8720 145.060836791992 12183.693359375 3.69 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8721 155.082183837891 6239.6240234375 1.89 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8722 155.117782592773 16064.8671875 4.86 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8723 157.097106933594 126526.3125 38.29 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8724 159.076431274414 88771.7109375 26.86 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8725 169.824691772461 3394.9814453125 1.03 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8726 173.09196472168 47060.4453125 14.24 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8727 175.107482910156 14841.31640625 4.49 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8728 183.076766967773 6105.44970703125 1.85 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8729 183.113021850586 14382.08203125 4.35 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8730 187.071426391602 43003.76171875 13.01 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8731 187.107849121094 41273.53125 12.49 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8732 191.102890014648 6334.61572265625 1.92 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8733 215.102142333984 27825.716796875 8.42 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8734 252.097564697266 4154.2255859375 1.26 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8735 262.139984130859 4305.97509765625 1.3 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8736 270.107604980469 18771.7109375 5.68 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8737 272.124145507812 107939.2109375 32.66 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8738 274.102722167969 5811.99951171875 1.76 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8739 288.119079589844 46286.41015625 14.01 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8740 359.028900146484 14643.9267578125 4.43 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8741 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8742 RECORD_TITLE: MZ:462.2212 | RT:57.7 | grpid:759 | file:2 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8743 MS$FOCUSED_ION: PRECURSOR_M/Z 462.22122959389 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8744 AC$CHROMATOGRAPHY: RETENTION_TIME 57.7060356 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8745 XCMS groupid (grpid): 759 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8746 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8747 PK$NUM_PEAK: 33 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8748 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8749 102.055290222168 25408.091796875 7.69 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8750 114.073616027832 4833.80419921875 1.46 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8751 115.087074279785 4629.81689453125 1.4 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8752 116.070701599121 7154.1357421875 2.16 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8753 118.086708068848 16256.9169921875 4.92 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8754 120.065902709961 45274.0078125 13.7 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8755 127.086898803711 6351.52294921875 1.92 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8756 129.102325439453 330451.9375 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8757 130.050109863281 20902.541015625 6.33 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8758 139.086563110352 4282.58251953125 1.3 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8759 141.065887451172 19794.552734375 5.99 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8760 143.081634521484 4180.470703125 1.27 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8761 145.060836791992 12183.693359375 3.69 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8762 155.082183837891 6239.6240234375 1.89 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8763 155.117782592773 16064.8671875 4.86 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8764 157.097106933594 126526.3125 38.29 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8765 159.076431274414 88771.7109375 26.86 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8766 169.824691772461 3394.9814453125 1.03 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8767 173.09196472168 47060.4453125 14.24 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8768 175.107482910156 14841.31640625 4.49 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8769 183.076766967773 6105.44970703125 1.85 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8770 183.113021850586 14382.08203125 4.35 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8771 187.071426391602 43003.76171875 13.01 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8772 187.107849121094 41273.53125 12.49 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8773 191.102890014648 6334.61572265625 1.92 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8774 215.102142333984 27825.716796875 8.42 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8775 252.097564697266 4154.2255859375 1.26 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8776 262.139984130859 4305.97509765625 1.3 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8777 270.107604980469 18771.7109375 5.68 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8778 272.124145507812 107939.2109375 32.66 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8779 274.102722167969 5811.99951171875 1.76 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8780 288.119079589844 46286.41015625 14.01 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8781 359.028900146484 14643.9267578125 4.43 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8782 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8783 RECORD_TITLE: MZ:476.1907 | RT:81.2 | grpid:787 | file:1 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8784 MS$FOCUSED_ION: PRECURSOR_M/Z 476.190702761819 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8785 AC$CHROMATOGRAPHY: RETENTION_TIME 81.162672 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8786 XCMS groupid (grpid): 787 |
|
fc9bb7e49a3a
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 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8788 PK$NUM_PEAK: 25 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8789 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8790 102.055404663086 20465.25 11.34 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8791 102.06177520752 3275.78784179688 1.82 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8792 103.278198242188 3364.96044921875 1.86 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8793 112.885681152344 3330.005859375 1.85 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8794 116.070892333984 18159.37890625 10.06 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8795 126.054763793945 43490.20703125 24.1 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8796 127.058601379395 15861.7431640625 8.79 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8797 130.049987792969 19434.638671875 10.77 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8798 131.052932739258 3582.9775390625 1.99 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8799 138.054931640625 180482.1875 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8800 139.058502197266 99697.390625 55.24 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8801 144.065490722656 49917.9921875 27.66 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8802 145.068832397461 21013.943359375 11.64 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8803 148.06037902832 60128.3203125 33.32 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8804 149.063781738281 16193.435546875 8.97 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8805 164.992126464844 3413.22827148438 1.89 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8806 168.065734863281 34263.20703125 18.98 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8807 169.069137573242 19527.5078125 10.82 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8808 186.076034545898 28047.16015625 15.54 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8809 187.079391479492 15926.552734375 8.82 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8810 218.489898681641 3360.4560546875 1.86 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8811 276.075775146484 5057.33740234375 2.8 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8812 292.791442871094 3937.0400390625 2.18 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8813 302.142669677734 24162.619140625 13.39 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8814 396.660095214844 3955.03051757812 2.19 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8815 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8816 RECORD_TITLE: MZ:476.1907 | RT:81.2 | grpid:787 | file:1 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8817 MS$FOCUSED_ION: PRECURSOR_M/Z 476.190702761819 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8818 AC$CHROMATOGRAPHY: RETENTION_TIME 81.162672 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8819 XCMS groupid (grpid): 787 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8820 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8821 PK$NUM_PEAK: 25 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8822 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8823 102.055404663086 20465.25 11.34 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8824 102.06177520752 3275.78784179688 1.82 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8825 103.278198242188 3364.96044921875 1.86 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8826 112.885681152344 3330.005859375 1.85 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8827 116.070892333984 18159.37890625 10.06 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8828 126.054763793945 43490.20703125 24.1 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8829 127.058601379395 15861.7431640625 8.79 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8830 130.049987792969 19434.638671875 10.77 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8831 131.052932739258 3582.9775390625 1.99 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8832 138.054931640625 180482.1875 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8833 139.058502197266 99697.390625 55.24 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8834 144.065490722656 49917.9921875 27.66 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8835 145.068832397461 21013.943359375 11.64 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8836 148.06037902832 60128.3203125 33.32 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8837 149.063781738281 16193.435546875 8.97 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8838 164.992126464844 3413.22827148438 1.89 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8839 168.065734863281 34263.20703125 18.98 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8840 169.069137573242 19527.5078125 10.82 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8841 186.076034545898 28047.16015625 15.54 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8842 187.079391479492 15926.552734375 8.82 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8843 218.489898681641 3360.4560546875 1.86 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8844 276.075775146484 5057.33740234375 2.8 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8845 292.791442871094 3937.0400390625 2.18 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8846 302.142669677734 24162.619140625 13.39 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8847 396.660095214844 3955.03051757812 2.19 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8848 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8849 RECORD_TITLE: MZ:476.1907 | RT:81.2 | grpid:787 | file:2 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8850 MS$FOCUSED_ION: PRECURSOR_M/Z 476.190702761819 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8851 AC$CHROMATOGRAPHY: RETENTION_TIME 81.162672 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8852 XCMS groupid (grpid): 787 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8853 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8854 PK$NUM_PEAK: 27 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8855 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8856 102.055328369141 21638.3720703125 9.68 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8857 103.568260192871 3338.787109375 1.49 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8858 109.02855682373 5442.65234375 2.43 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8859 116.070835113525 21049.765625 9.41 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8860 117.074157714844 4382.4052734375 1.96 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8861 126.055213928223 41902.8525390625 18.74 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8862 127.058479309082 14950.4484863281 6.69 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8863 130.050033569336 14948.8615722656 6.69 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8864 138.054969787598 223585.640625 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8865 139.058395385742 101133.3359375 45.23 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8866 144.065582275391 54659.2109375 24.45 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8867 145.068962097168 24206.9794921875 10.83 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8868 148.060363769531 70912.591796875 31.72 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8869 149.06404876709 22971.0654296875 10.27 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8870 168.065612792969 34680.978515625 15.51 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8871 169.069068908691 26441.759765625 11.83 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8872 186.076217651367 28306.1328125 12.66 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8873 187.079689025879 22004.34375 9.84 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8874 199.405822753906 3979.18115234375 1.78 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8875 241.122634887695 3873.60595703125 1.73 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8876 259.666381835938 4058.85961914062 1.82 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8877 267.132629394531 3835.806640625 1.72 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8878 276.075805664062 5290.05908203125 2.37 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8879 301.13948059082 13626.3889160156 6.09 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8880 302.141830444336 26676.0341796875 11.93 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8881 360.640808105469 4196.35400390625 1.88 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8882 480.125091552734 3905.12133789062 1.75 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8883 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8884 RECORD_TITLE: MZ:476.1907 | RT:81.2 | grpid:787 | file:2 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8885 MS$FOCUSED_ION: PRECURSOR_M/Z 476.190702761819 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8886 AC$CHROMATOGRAPHY: RETENTION_TIME 81.162672 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8887 XCMS groupid (grpid): 787 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8888 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8889 PK$NUM_PEAK: 27 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8890 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8891 102.055328369141 21638.3720703125 9.68 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8892 103.568260192871 3338.787109375 1.49 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8893 109.02855682373 5442.65234375 2.43 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8894 116.070835113525 21049.765625 9.41 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8895 117.074157714844 4382.4052734375 1.96 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8896 126.055213928223 41902.8525390625 18.74 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8897 127.058479309082 14950.4484863281 6.69 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8898 130.050033569336 14948.8615722656 6.69 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8899 138.054969787598 223585.640625 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8900 139.058395385742 101133.3359375 45.23 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8901 144.065582275391 54659.2109375 24.45 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8902 145.068962097168 24206.9794921875 10.83 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8903 148.060363769531 70912.591796875 31.72 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8904 149.06404876709 22971.0654296875 10.27 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8905 168.065612792969 34680.978515625 15.51 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8906 169.069068908691 26441.759765625 11.83 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8907 186.076217651367 28306.1328125 12.66 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8908 187.079689025879 22004.34375 9.84 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8909 199.405822753906 3979.18115234375 1.78 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8910 241.122634887695 3873.60595703125 1.73 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8911 259.666381835938 4058.85961914062 1.82 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8912 267.132629394531 3835.806640625 1.72 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8913 276.075805664062 5290.05908203125 2.37 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8914 301.13948059082 13626.3889160156 6.09 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8915 302.141830444336 26676.0341796875 11.93 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8916 360.640808105469 4196.35400390625 1.88 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8917 480.125091552734 3905.12133789062 1.75 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8918 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8919 RECORD_TITLE: MZ:487.1812 | RT:66.7 | grpid:812 | file:1 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8920 MS$FOCUSED_ION: PRECURSOR_M/Z 487.181176540989 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8921 AC$CHROMATOGRAPHY: RETENTION_TIME 66.710418 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8922 XCMS groupid (grpid): 812 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8923 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8924 PK$NUM_PEAK: 6 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8925 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8926 103.690208435059 5716.66162109375 0.05 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8927 112.050834655762 10987300 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8928 174.621200561523 5244.80419921875 0.05 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8929 200.266555786133 5990.37744140625 0.05 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8930 244.092468261719 104115.34375 0.95 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8931 448.8837890625 6051.86181640625 0.06 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8932 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8933 RECORD_TITLE: MZ:487.1812 | RT:66.7 | grpid:812 | file:1 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8934 MS$FOCUSED_ION: PRECURSOR_M/Z 487.181176540989 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8935 AC$CHROMATOGRAPHY: RETENTION_TIME 66.710418 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8936 XCMS groupid (grpid): 812 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8937 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8938 PK$NUM_PEAK: 6 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8939 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8940 103.690208435059 5716.66162109375 0.05 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8941 112.050834655762 10987300 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8942 174.621200561523 5244.80419921875 0.05 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8943 200.266555786133 5990.37744140625 0.05 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8944 244.092468261719 104115.34375 0.95 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8945 448.8837890625 6051.86181640625 0.06 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8946 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8947 RECORD_TITLE: MZ:487.1812 | RT:66.7 | grpid:812 | file:2 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8948 MS$FOCUSED_ION: PRECURSOR_M/Z 487.181176540989 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8949 AC$CHROMATOGRAPHY: RETENTION_TIME 66.710418 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8950 XCMS groupid (grpid): 812 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8951 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8952 PK$NUM_PEAK: 3 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8953 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8954 112.050857543945 12582074 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8955 244.092895507812 124155.421875 0.99 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8956 294.906677246094 6473.75732421875 0.05 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8957 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8958 RECORD_TITLE: MZ:487.1812 | RT:66.7 | grpid:812 | file:2 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8959 MS$FOCUSED_ION: PRECURSOR_M/Z 487.181176540989 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8960 AC$CHROMATOGRAPHY: RETENTION_TIME 66.710418 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8961 XCMS groupid (grpid): 812 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8962 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8963 PK$NUM_PEAK: 3 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8964 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8965 112.050857543945 12582074 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8966 244.092895507812 124155.421875 0.99 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8967 294.906677246094 6473.75732421875 0.05 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8968 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8969 RECORD_TITLE: MZ:494.1968 | RT:49.9 | grpid:830 | file:1 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8970 MS$FOCUSED_ION: PRECURSOR_M/Z 494.196757645669 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8971 AC$CHROMATOGRAPHY: RETENTION_TIME 49.9356528 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8972 XCMS groupid (grpid): 830 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8973 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8974 PK$NUM_PEAK: 31 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8975 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8976 102.055335998535 154721.296875 15 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8977 102.392883300781 3496.21337890625 0.34 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8978 108.04434967041 4591.63720703125 0.45 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8979 109.028770446777 37006.1171875 3.59 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8980 112.050483703613 5202.08544921875 0.5 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8981 114.055534362793 7487.91796875 0.73 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8982 116.070945739746 152841.71875 14.82 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8983 126.055137634277 384054.9375 37.24 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8984 127.038932800293 16765.65234375 1.63 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8985 130.049896240234 134547.890625 13.05 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8986 131.064346313477 4367.2939453125 0.42 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8987 133.538024902344 3557.1923828125 0.34 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8988 134.355972290039 4310.93603515625 0.42 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8989 138.054977416992 1031208.0625 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8990 140.379119873047 4150.32763671875 0.4 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8991 144.054061889648 6955.7412109375 0.67 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8992 144.065582275391 279825.71875 27.14 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8993 148.060394287109 517862.25 50.22 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8994 168.051147460938 6748.05224609375 0.65 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8995 168.065536499023 166781.046875 16.17 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8996 186.076080322266 123645.5625 11.99 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8997 219.097274780273 9423.3818359375 0.91 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8998 230.102645874023 6362.16259765625 0.62 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8999 258.096160888672 9424.5302734375 0.91 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9000 285.323272705078 4496.87939453125 0.44 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9001 291.116821289062 6737.97021484375 0.65 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9002 301.107269287109 5462.4970703125 0.53 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9003 301.138977050781 93043.8828125 9.02 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9004 319.864624023438 4290.947265625 0.42 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9005 329.134429931641 7357.294921875 0.71 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9006 426.685913085938 4104.65283203125 0.4 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9007 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9008 RECORD_TITLE: MZ:494.1968 | RT:49.9 | grpid:830 | file:1 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9009 MS$FOCUSED_ION: PRECURSOR_M/Z 494.196757645669 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9010 AC$CHROMATOGRAPHY: RETENTION_TIME 49.9356528 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9011 XCMS groupid (grpid): 830 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9012 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9013 PK$NUM_PEAK: 31 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9014 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9015 102.055335998535 154721.296875 15 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9016 102.392883300781 3496.21337890625 0.34 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9017 108.04434967041 4591.63720703125 0.45 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9018 109.028770446777 37006.1171875 3.59 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9019 112.050483703613 5202.08544921875 0.5 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9020 114.055534362793 7487.91796875 0.73 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9021 116.070945739746 152841.71875 14.82 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9022 126.055137634277 384054.9375 37.24 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9023 127.038932800293 16765.65234375 1.63 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9024 130.049896240234 134547.890625 13.05 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9025 131.064346313477 4367.2939453125 0.42 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9026 133.538024902344 3557.1923828125 0.34 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9027 134.355972290039 4310.93603515625 0.42 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9028 138.054977416992 1031208.0625 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9029 140.379119873047 4150.32763671875 0.4 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9030 144.054061889648 6955.7412109375 0.67 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9031 144.065582275391 279825.71875 27.14 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9032 148.060394287109 517862.25 50.22 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9033 168.051147460938 6748.05224609375 0.65 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9034 168.065536499023 166781.046875 16.17 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9035 186.076080322266 123645.5625 11.99 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9036 219.097274780273 9423.3818359375 0.91 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9037 230.102645874023 6362.16259765625 0.62 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9038 258.096160888672 9424.5302734375 0.91 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9039 285.323272705078 4496.87939453125 0.44 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9040 291.116821289062 6737.97021484375 0.65 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9041 301.107269287109 5462.4970703125 0.53 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9042 301.138977050781 93043.8828125 9.02 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9043 319.864624023438 4290.947265625 0.42 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9044 329.134429931641 7357.294921875 0.71 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9045 426.685913085938 4104.65283203125 0.4 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9046 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9047 RECORD_TITLE: MZ:494.1968 | RT:49.9 | grpid:830 | file:2 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9048 MS$FOCUSED_ION: PRECURSOR_M/Z 494.196757645669 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9049 AC$CHROMATOGRAPHY: RETENTION_TIME 49.9356528 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9050 XCMS groupid (grpid): 830 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9051 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9052 PK$NUM_PEAK: 29 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9053 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9054 101.02392578125 4665.49853515625 0.46 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9055 102.05541229248 139830.640625 13.9 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9056 108.044906616211 7338.142578125 0.73 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9057 109.028587341309 34949.8125 3.47 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9058 110.060516357422 4515.4990234375 0.45 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9059 114.055053710938 8607.400390625 0.86 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9060 116.070930480957 143212.125 14.24 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9061 126.055122375488 382392.125 38.01 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9062 127.039169311523 22511.798828125 2.24 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9063 130.049911499023 114702.28125 11.4 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9064 136.169921875 4170.79638671875 0.41 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9065 138.054992675781 1006045.75 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9066 144.065567016602 271017.65625 26.94 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9067 148.060394287109 530132.8125 52.69 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9068 150.054046630859 3918.6318359375 0.39 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9069 168.065612792969 182116.0625 18.1 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9070 186.076141357422 123048.53125 12.23 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9071 197.289779663086 4408.47607421875 0.44 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9072 219.09797668457 7606.20068359375 0.76 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9073 230.102798461914 9371.7431640625 0.93 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9074 239.558517456055 4159.935546875 0.41 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9075 258.096801757812 15609.2587890625 1.55 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9076 291.118927001953 8675.626953125 0.86 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9077 301.139556884766 84987.3046875 8.45 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9078 302.220367431641 3734.84155273438 0.37 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9079 329.133361816406 18578.4765625 1.85 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9080 332.25048828125 4750.3056640625 0.47 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9081 342.581665039062 3982.03881835938 0.4 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9082 376.824645996094 3809.353515625 0.38 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9083 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9084 RECORD_TITLE: MZ:494.1968 | RT:49.9 | grpid:830 | file:2 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9085 MS$FOCUSED_ION: PRECURSOR_M/Z 494.196757645669 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9086 AC$CHROMATOGRAPHY: RETENTION_TIME 49.9356528 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9087 XCMS groupid (grpid): 830 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9088 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9089 PK$NUM_PEAK: 29 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9090 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9091 101.02392578125 4665.49853515625 0.46 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9092 102.05541229248 139830.640625 13.9 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9093 108.044906616211 7338.142578125 0.73 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9094 109.028587341309 34949.8125 3.47 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9095 110.060516357422 4515.4990234375 0.45 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9096 114.055053710938 8607.400390625 0.86 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9097 116.070930480957 143212.125 14.24 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9098 126.055122375488 382392.125 38.01 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9099 127.039169311523 22511.798828125 2.24 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9100 130.049911499023 114702.28125 11.4 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9101 136.169921875 4170.79638671875 0.41 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9102 138.054992675781 1006045.75 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9103 144.065567016602 271017.65625 26.94 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9104 148.060394287109 530132.8125 52.69 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9105 150.054046630859 3918.6318359375 0.39 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9106 168.065612792969 182116.0625 18.1 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9107 186.076141357422 123048.53125 12.23 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9108 197.289779663086 4408.47607421875 0.44 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9109 219.09797668457 7606.20068359375 0.76 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9110 230.102798461914 9371.7431640625 0.93 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9111 239.558517456055 4159.935546875 0.41 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9112 258.096801757812 15609.2587890625 1.55 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9113 291.118927001953 8675.626953125 0.86 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9114 301.139556884766 84987.3046875 8.45 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9115 302.220367431641 3734.84155273438 0.37 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9116 329.133361816406 18578.4765625 1.85 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9117 332.25048828125 4750.3056640625 0.47 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9118 342.581665039062 3982.03881835938 0.4 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9119 376.824645996094 3809.353515625 0.38 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9120 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9121 RECORD_TITLE: MZ:498.1693 | RT:81.2 | grpid:840 | file:1 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9122 MS$FOCUSED_ION: PRECURSOR_M/Z 498.169308539313 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9123 AC$CHROMATOGRAPHY: RETENTION_TIME 81.162672 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9124 XCMS groupid (grpid): 840 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9125 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9126 PK$NUM_PEAK: 27 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9127 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9128 110.071174621582 19027.2734375 1.64 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9129 113.020904541016 9368.123046875 0.81 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9130 126.054611206055 5812.5556640625 0.5 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9131 127.031745910645 4190.18701171875 0.36 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9132 136.075302124023 22934.310546875 1.98 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9133 137.078796386719 9176.759765625 0.79 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9134 138.054428100586 23509.2890625 2.03 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9135 148.036193847656 6227.35693359375 0.54 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9136 170.04133605957 5330.70458984375 0.46 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9137 186.075622558594 4476.88330078125 0.39 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9138 208.057647705078 61292.54296875 5.3 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9139 210.997604370117 4414.2978515625 0.38 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9140 214.955703735352 4026.87036132812 0.35 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9141 226.068435668945 138242.484375 11.95 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9142 236.147445678711 7551.0751953125 0.65 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9143 241.538787841797 4289.0048828125 0.37 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9144 279.094696044922 23287.87890625 2.01 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9145 297.103424072266 4021.5634765625 0.35 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9146 298.089477539062 604584.8125 52.24 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9147 313.098754882812 4193.3427734375 0.36 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9148 323.121063232422 447545.03125 38.67 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9149 351.115936279297 177400.859375 15.33 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9150 368.141418457031 7687.5947265625 0.66 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9151 369.126556396484 840579.1875 72.63 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9152 452.164520263672 46214.9140625 3.99 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9153 480.158355712891 21752.802734375 1.88 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9154 498.169158935547 1157278.375 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9155 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9156 RECORD_TITLE: MZ:498.1693 | RT:81.2 | grpid:840 | file:1 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9157 MS$FOCUSED_ION: PRECURSOR_M/Z 498.169308539313 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9158 AC$CHROMATOGRAPHY: RETENTION_TIME 81.162672 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9159 XCMS groupid (grpid): 840 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9160 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9161 PK$NUM_PEAK: 27 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9162 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9163 110.071174621582 19027.2734375 1.64 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9164 113.020904541016 9368.123046875 0.81 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9165 126.054611206055 5812.5556640625 0.5 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9166 127.031745910645 4190.18701171875 0.36 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9167 136.075302124023 22934.310546875 1.98 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9168 137.078796386719 9176.759765625 0.79 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9169 138.054428100586 23509.2890625 2.03 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9170 148.036193847656 6227.35693359375 0.54 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9171 170.04133605957 5330.70458984375 0.46 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9172 186.075622558594 4476.88330078125 0.39 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9173 208.057647705078 61292.54296875 5.3 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9174 210.997604370117 4414.2978515625 0.38 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9175 214.955703735352 4026.87036132812 0.35 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9176 226.068435668945 138242.484375 11.95 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9177 236.147445678711 7551.0751953125 0.65 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9178 241.538787841797 4289.0048828125 0.37 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9179 279.094696044922 23287.87890625 2.01 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9180 297.103424072266 4021.5634765625 0.35 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9181 298.089477539062 604584.8125 52.24 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9182 313.098754882812 4193.3427734375 0.36 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9183 323.121063232422 447545.03125 38.67 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9184 351.115936279297 177400.859375 15.33 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9185 368.141418457031 7687.5947265625 0.66 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9186 369.126556396484 840579.1875 72.63 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9187 452.164520263672 46214.9140625 3.99 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9188 480.158355712891 21752.802734375 1.88 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9189 498.169158935547 1157278.375 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9190 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9191 RECORD_TITLE: MZ:498.1693 | RT:81.2 | grpid:840 | file:2 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9192 MS$FOCUSED_ION: PRECURSOR_M/Z 498.169308539313 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9193 AC$CHROMATOGRAPHY: RETENTION_TIME 81.162672 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9194 XCMS groupid (grpid): 840 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9195 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9196 PK$NUM_PEAK: 33 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9197 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9198 101.778099060059 3795.03295898438 0.41 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9199 106.049766540527 6611.89404296875 0.71 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9200 109.610725402832 3484.1552734375 0.37 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9201 110.071022033691 19734.185546875 2.12 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9202 113.020729064941 9306.251953125 1 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9203 136.075790405273 30731.45703125 3.3 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9204 138.054565429688 21605.92578125 2.32 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9205 159.81298828125 3442.19995117188 0.37 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9206 167.347625732422 4180.2548828125 0.45 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9207 180.837631225586 3948.50952148438 0.42 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9208 184.057907104492 8015.86474609375 0.86 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9209 188.469665527344 3955.94091796875 0.42 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9210 195.686859130859 3936.31909179688 0.42 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9211 200.988327026367 3759.4541015625 0.4 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9212 208.058547973633 55579.5703125 5.97 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9213 226.046966552734 7511.52294921875 0.81 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9214 226.068435668945 155661.140625 16.71 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9215 236.14729309082 4748.50634765625 0.51 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9216 244.78190612793 4454.5654296875 0.48 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9217 276.721008300781 3612.77392578125 0.39 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9218 279.094757080078 26303.89453125 2.82 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9219 296.157531738281 4649.9521484375 0.5 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9220 298.089416503906 625621.25 67.16 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9221 308.5830078125 4018.92358398438 0.43 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9222 311.841857910156 3540.38208007812 0.38 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9223 323.121215820312 485592.5 52.13 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9224 351.116119384766 216191.140625 23.21 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9225 368.143646240234 8117.44580078125 0.87 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9226 369.124267578125 5257.81591796875 0.56 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9227 369.126617431641 931572.6875 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9228 452.164489746094 61435.125 6.59 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9229 480.157287597656 16194.7509765625 1.74 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9230 498.169326782227 640386.810058594 68.74 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9231 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9232 RECORD_TITLE: MZ:498.1693 | RT:81.2 | grpid:840 | file:2 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9233 MS$FOCUSED_ION: PRECURSOR_M/Z 498.169308539313 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9234 AC$CHROMATOGRAPHY: RETENTION_TIME 81.162672 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9235 XCMS groupid (grpid): 840 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9236 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9237 PK$NUM_PEAK: 33 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9238 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9239 101.778099060059 3795.03295898438 0.41 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9240 106.049766540527 6611.89404296875 0.71 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9241 109.610725402832 3484.1552734375 0.37 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9242 110.071022033691 19734.185546875 2.12 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9243 113.020729064941 9306.251953125 1 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9244 136.075790405273 30731.45703125 3.3 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9245 138.054565429688 21605.92578125 2.32 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9246 159.81298828125 3442.19995117188 0.37 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9247 167.347625732422 4180.2548828125 0.45 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9248 180.837631225586 3948.50952148438 0.42 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9249 184.057907104492 8015.86474609375 0.86 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9250 188.469665527344 3955.94091796875 0.42 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9251 195.686859130859 3936.31909179688 0.42 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9252 200.988327026367 3759.4541015625 0.4 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9253 208.058547973633 55579.5703125 5.97 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9254 226.046966552734 7511.52294921875 0.81 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9255 226.068435668945 155661.140625 16.71 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9256 236.14729309082 4748.50634765625 0.51 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9257 244.78190612793 4454.5654296875 0.48 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9258 276.721008300781 3612.77392578125 0.39 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9259 279.094757080078 26303.89453125 2.82 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9260 296.157531738281 4649.9521484375 0.5 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9261 298.089416503906 625621.25 67.16 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9262 308.5830078125 4018.92358398438 0.43 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9263 311.841857910156 3540.38208007812 0.38 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9264 323.121215820312 485592.5 52.13 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9265 351.116119384766 216191.140625 23.21 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9266 368.143646240234 8117.44580078125 0.87 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9267 369.124267578125 5257.81591796875 0.56 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9268 369.126617431641 931572.6875 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9269 452.164489746094 61435.125 6.59 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9270 480.157287597656 16194.7509765625 1.74 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9271 498.169326782227 640386.810058594 68.74 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9272 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9273 RECORD_TITLE: MZ:499.2505 | RT:129.3 | grpid:843 | file:1 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9274 MS$FOCUSED_ION: PRECURSOR_M/Z 499.250501059464 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9275 AC$CHROMATOGRAPHY: RETENTION_TIME 129.271086 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9276 XCMS groupid (grpid): 843 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9277 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9278 PK$NUM_PEAK: 8 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9279 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9280 118.086380004883 7052.74462890625 0.36 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9281 119.035583496094 4770.26611328125 0.24 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9282 137.045806884766 1959734 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9283 143.80290222168 3752.88916015625 0.19 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9284 185.164245605469 6015.66552734375 0.31 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9285 188.177719116211 3627.47534179688 0.19 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9286 231.17024230957 75057.1484375 3.83 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9287 473.909973144531 4030.2705078125 0.21 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9288 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9289 RECORD_TITLE: MZ:499.2505 | RT:129.3 | grpid:843 | file:1 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9290 MS$FOCUSED_ION: PRECURSOR_M/Z 499.250501059464 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9291 AC$CHROMATOGRAPHY: RETENTION_TIME 129.271086 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9292 XCMS groupid (grpid): 843 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9293 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9294 PK$NUM_PEAK: 8 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9295 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9296 118.086380004883 7052.74462890625 0.36 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9297 119.035583496094 4770.26611328125 0.24 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9298 137.045806884766 1959734 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9299 143.80290222168 3752.88916015625 0.19 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9300 185.164245605469 6015.66552734375 0.31 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9301 188.177719116211 3627.47534179688 0.19 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9302 231.17024230957 75057.1484375 3.83 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9303 473.909973144531 4030.2705078125 0.21 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9304 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9305 RECORD_TITLE: MZ:499.2505 | RT:129.3 | grpid:843 | file:2 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9306 MS$FOCUSED_ION: PRECURSOR_M/Z 499.250501059464 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9307 AC$CHROMATOGRAPHY: RETENTION_TIME 129.271086 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9308 XCMS groupid (grpid): 843 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9309 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9310 PK$NUM_PEAK: 4 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9311 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9312 110.034912109375 5403.05908203125 0.28 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9313 118.08659362793 4443.796875 0.23 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9314 137.045791625977 1921419.375 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9315 231.170379638672 79803.1953125 4.15 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9316 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9317 RECORD_TITLE: MZ:499.2505 | RT:129.3 | grpid:843 | file:2 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9318 MS$FOCUSED_ION: PRECURSOR_M/Z 499.250501059464 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9319 AC$CHROMATOGRAPHY: RETENTION_TIME 129.271086 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9320 XCMS groupid (grpid): 843 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9321 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_intra' msPurity version:1.11.0 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9322 PK$NUM_PEAK: 4 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9323 PK$PEAK: m/z int. rel.int. |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9324 110.034912109375 5403.05908203125 0.28 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9325 118.08659362793 4443.796875 0.23 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9326 137.045791625977 1921419.375 100 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9327 231.170379638672 79803.1953125 4.15 |
|
fc9bb7e49a3a
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
9328 |