Mercurial > repos > tomnl > mspurity_flagremove
annotate test-data/createMSP_output_av_inter.msp @ 0:ca0ac330f1a4 draft
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
| author | tomnl |
|---|---|
| date | Fri, 24 May 2019 09:13:42 -0400 |
| parents | |
| children | a03407367135 |
| rev | line source |
|---|---|
|
0
ca0ac330f1a4
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:NA |
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ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2 MS$FOCUSED_ION: PRECURSOR_M/Z 112.050766766484 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
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3 AC$CHROMATOGRAPHY: RETENTION_TIME 67.47903 |
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ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4 XCMS groupid (grpid): 12 |
|
ca0ac330f1a4
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_inter' msPurity version:1.11.0 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6 PK$NUM_PEAK: 2 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
7 PK$PEAK: m/z int. rel.int. |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
8 112.050884246826 502873.46875 100 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
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9 126.53768157959 2499.31469726562 0.5 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
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10 |
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ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
11 RECORD_TITLE: MZ:112.0508 | RT:67.5 | grpid:12 | file:NA |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
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12 MS$FOCUSED_ION: PRECURSOR_M/Z 112.050766766484 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
13 AC$CHROMATOGRAPHY: RETENTION_TIME 67.47903 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
14 XCMS groupid (grpid): 12 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
15 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
16 PK$NUM_PEAK: 2 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
17 PK$PEAK: m/z int. rel.int. |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
18 112.050884246826 502873.46875 100 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
19 126.53768157959 2499.31469726562 0.5 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
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20 |
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ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
21 RECORD_TITLE: MZ:113.0354 | RT:83.4 | grpid:14 | file:NA |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
22 MS$FOCUSED_ION: PRECURSOR_M/Z 113.03541992282 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
23 AC$CHROMATOGRAPHY: RETENTION_TIME 83.441172 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
24 XCMS groupid (grpid): 14 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
25 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
26 PK$NUM_PEAK: 2 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
27 PK$PEAK: m/z int. rel.int. |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
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28 112.999992370605 67035.0703125 0.63 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
29 113.03479385376 10613844.25 100 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
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30 |
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ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
31 RECORD_TITLE: MZ:113.0354 | RT:83.4 | grpid:14 | file:NA |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
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32 MS$FOCUSED_ION: PRECURSOR_M/Z 113.03541992282 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
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33 AC$CHROMATOGRAPHY: RETENTION_TIME 83.441172 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
34 XCMS groupid (grpid): 14 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
35 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
36 PK$NUM_PEAK: 2 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
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37 PK$PEAK: m/z int. rel.int. |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
38 112.999992370605 67035.0703125 0.63 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
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39 113.03479385376 10613844.25 100 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
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40 |
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ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
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41 RECORD_TITLE: MZ:116.0706 | RT:47.7 | grpid:17 | file:NA |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
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42 MS$FOCUSED_ION: PRECURSOR_M/Z 116.070637437099 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
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43 AC$CHROMATOGRAPHY: RETENTION_TIME 47.662548 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
44 XCMS groupid (grpid): 17 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
45 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
46 PK$NUM_PEAK: 3 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
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47 PK$PEAK: m/z int. rel.int. |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
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48 116.016647338867 4672.2880859375 2.97 |
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ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
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49 116.070896148682 157547.453125 100 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
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50 116.107257843018 6525.58282470703 4.14 |
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ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
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51 |
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ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
52 RECORD_TITLE: MZ:116.0706 | RT:47.7 | grpid:17 | file:NA |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
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53 MS$FOCUSED_ION: PRECURSOR_M/Z 116.070637437099 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
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54 AC$CHROMATOGRAPHY: RETENTION_TIME 47.662548 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
55 XCMS groupid (grpid): 17 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
56 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
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57 PK$NUM_PEAK: 3 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
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58 PK$PEAK: m/z int. rel.int. |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
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59 116.016647338867 4672.2880859375 2.97 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
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60 116.070896148682 157547.453125 100 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
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61 116.107257843018 6525.58282470703 4.14 |
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ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
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62 |
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ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
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63 RECORD_TITLE: MZ:132.1018 | RT:73.5 | grpid:41 | file:NA |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
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64 MS$FOCUSED_ION: PRECURSOR_M/Z 132.101827805179 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
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65 AC$CHROMATOGRAPHY: RETENTION_TIME 73.529172 |
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ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
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66 XCMS groupid (grpid): 41 |
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ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
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67 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
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68 PK$NUM_PEAK: 1 |
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ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
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69 PK$PEAK: m/z int. rel.int. |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
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70 132.102035522461 338114.46875 100 |
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ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
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71 |
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ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
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72 RECORD_TITLE: MZ:132.1018 | RT:73.5 | grpid:41 | file:NA |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
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73 MS$FOCUSED_ION: PRECURSOR_M/Z 132.101827805179 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
74 AC$CHROMATOGRAPHY: RETENTION_TIME 73.529172 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
75 XCMS groupid (grpid): 41 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
76 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
77 PK$NUM_PEAK: 1 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
78 PK$PEAK: m/z int. rel.int. |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
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79 132.102035522461 338114.46875 100 |
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80 |
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81 RECORD_TITLE: MZ:137.0456 | RT:127 | grpid:47 | file:NA |
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82 MS$FOCUSED_ION: PRECURSOR_M/Z 137.045578757527 |
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83 AC$CHROMATOGRAPHY: RETENTION_TIME 126.956946 |
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84 XCMS groupid (grpid): 47 |
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85 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 |
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86 PK$NUM_PEAK: 17 |
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87 PK$PEAK: m/z int. rel.int. |
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88 104.860054016113 30638.400390625 0.26 |
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89 109.06566619873 2550.77392578125 0.02 |
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90 110.028198242188 67928.296875 0.58 |
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91 110.035272598267 511818.559082031 4.38 |
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92 110.559509277344 33952.66015625 0.29 |
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93 112.050750732422 24920.3304443359 0.21 |
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94 119.020355224609 16488.48828125 0.14 |
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95 119.035472869873 376451.501953125 3.22 |
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96 127.993309020996 1960.09631347656 0.02 |
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97 128.04508972168 18434.0234375 0.16 |
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98 128.045852661133 75962.28125 0.65 |
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99 136.124038696289 2269.25805664062 0.02 |
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100 137.045829772949 11689172.5 100 |
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101 138.029312133789 2125.6455078125 0.02 |
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102 138.030548095703 43127.65234375 0.37 |
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103 154.112442016602 2006.76232910156 0.02 |
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104 159.283874511719 2343.61376953125 0.02 |
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105 |
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106 RECORD_TITLE: MZ:137.0456 | RT:127 | grpid:47 | file:NA |
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107 MS$FOCUSED_ION: PRECURSOR_M/Z 137.045578757527 |
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108 AC$CHROMATOGRAPHY: RETENTION_TIME 126.956946 |
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109 XCMS groupid (grpid): 47 |
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110 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 |
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111 PK$NUM_PEAK: 17 |
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112 PK$PEAK: m/z int. rel.int. |
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113 104.860054016113 30638.400390625 0.26 |
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114 109.06566619873 2550.77392578125 0.02 |
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115 110.028198242188 67928.296875 0.58 |
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116 110.035272598267 511818.559082031 4.38 |
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117 110.559509277344 33952.66015625 0.29 |
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118 112.050750732422 24920.3304443359 0.21 |
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119 119.020355224609 16488.48828125 0.14 |
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120 119.035472869873 376451.501953125 3.22 |
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121 127.993309020996 1960.09631347656 0.02 |
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122 128.04508972168 18434.0234375 0.16 |
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123 128.045852661133 75962.28125 0.65 |
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124 136.124038696289 2269.25805664062 0.02 |
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125 137.045829772949 11689172.5 100 |
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126 138.029312133789 2125.6455078125 0.02 |
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127 138.030548095703 43127.65234375 0.37 |
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128 154.112442016602 2006.76232910156 0.02 |
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129 159.283874511719 2343.61376953125 0.02 |
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130 |
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131 RECORD_TITLE: MZ:138.0547 | RT:50.7 | grpid:48 | file:NA |
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132 MS$FOCUSED_ION: PRECURSOR_M/Z 138.05471057982 |
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133 AC$CHROMATOGRAPHY: RETENTION_TIME 50.6971758 |
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134 XCMS groupid (grpid): 48 |
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135 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 |
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136 PK$NUM_PEAK: 3 |
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137 PK$PEAK: m/z int. rel.int. |
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138 110.060352325439 34625.283203125 7.61 |
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139 110.072189331055 8668.18530273438 1.9 |
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140 138.054901123047 455046.234375 100 |
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141 |
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142 RECORD_TITLE: MZ:138.0547 | RT:50.7 | grpid:48 | file:NA |
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143 MS$FOCUSED_ION: PRECURSOR_M/Z 138.05471057982 |
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144 AC$CHROMATOGRAPHY: RETENTION_TIME 50.6971758 |
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145 XCMS groupid (grpid): 48 |
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146 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 |
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147 PK$NUM_PEAK: 3 |
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148 PK$PEAK: m/z int. rel.int. |
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149 110.060352325439 34625.283203125 7.61 |
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150 110.072189331055 8668.18530273438 1.9 |
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151 138.054901123047 455046.234375 100 |
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152 |
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153 RECORD_TITLE: MZ:138.0487 | RT:127 | grpid:49 | file:NA |
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154 MS$FOCUSED_ION: PRECURSOR_M/Z 138.048727400006 |
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155 AC$CHROMATOGRAPHY: RETENTION_TIME 126.956946 |
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156 XCMS groupid (grpid): 49 |
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157 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 |
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158 PK$NUM_PEAK: 8 |
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159 PK$PEAK: m/z int. rel.int. |
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160 110.035133361816 4197.11962890625 0.87 |
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161 111.032066345215 3606.22302246094 0.75 |
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162 111.038753509521 22056.884765625 4.56 |
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163 120.031585693359 3442.69409179688 0.71 |
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164 120.038921356201 14920.083984375 3.08 |
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165 131.267166137695 2650.74243164062 0.55 |
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166 137.396865844727 3584.59228515625 0.74 |
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167 138.050010681152 483746.53125 100 |
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168 |
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169 RECORD_TITLE: MZ:138.0487 | RT:127 | grpid:49 | file:NA |
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170 MS$FOCUSED_ION: PRECURSOR_M/Z 138.048727400006 |
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171 AC$CHROMATOGRAPHY: RETENTION_TIME 126.956946 |
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172 XCMS groupid (grpid): 49 |
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173 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 |
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174 PK$NUM_PEAK: 8 |
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175 PK$PEAK: m/z int. rel.int. |
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176 110.035133361816 4197.11962890625 0.87 |
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177 111.032066345215 3606.22302246094 0.75 |
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178 111.038753509521 22056.884765625 4.56 |
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179 120.031585693359 3442.69409179688 0.71 |
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180 120.038921356201 14920.083984375 3.08 |
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181 131.267166137695 2650.74243164062 0.55 |
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182 137.396865844727 3584.59228515625 0.74 |
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183 138.050010681152 483746.53125 100 |
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184 |
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185 RECORD_TITLE: MZ:140.0678 | RT:46.2 | grpid:51 | file:NA |
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186 MS$FOCUSED_ION: PRECURSOR_M/Z 140.067802644286 |
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187 AC$CHROMATOGRAPHY: RETENTION_TIME 46.161033 |
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188 XCMS groupid (grpid): 51 |
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189 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 |
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190 PK$NUM_PEAK: 4 |
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191 PK$PEAK: m/z int. rel.int. |
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192 108.959754943848 2408.8056640625 0.05 |
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193 114.089179992676 568595.515625 10.75 |
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194 140.06812286377 5286829.375 100 |
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195 143.032638549805 2735.88037109375 0.05 |
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196 |
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197 RECORD_TITLE: MZ:140.0678 | RT:46.2 | grpid:51 | file:NA |
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198 MS$FOCUSED_ION: PRECURSOR_M/Z 140.067802644286 |
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199 AC$CHROMATOGRAPHY: RETENTION_TIME 46.161033 |
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200 XCMS groupid (grpid): 51 |
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201 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 |
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202 PK$NUM_PEAK: 4 |
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203 PK$PEAK: m/z int. rel.int. |
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204 108.959754943848 2408.8056640625 0.05 |
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205 114.089179992676 568595.515625 10.75 |
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206 140.06812286377 5286829.375 100 |
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207 143.032638549805 2735.88037109375 0.05 |
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208 |
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209 RECORD_TITLE: MZ:146.1174 | RT:46.2 | grpid:62 | file:NA |
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210 MS$FOCUSED_ION: PRECURSOR_M/Z 146.117395027245 |
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211 AC$CHROMATOGRAPHY: RETENTION_TIME 46.161033 |
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212 XCMS groupid (grpid): 62 |
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213 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 |
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214 PK$NUM_PEAK: 19 |
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215 PK$PEAK: m/z int. rel.int. |
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216 100.021862030029 18680.7416992188 0.38 |
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217 101.070411682129 2306.69653320312 0.05 |
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218 102.055847167969 2466.92114257812 0.05 |
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219 108.055778503418 11361.3504638672 0.23 |
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220 112.465751647949 20960.951171875 0.42 |
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221 114.566963195801 2266.10009765625 0.05 |
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222 115.129852294922 2413.13818359375 0.05 |
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223 118.065389633179 17228.7104492188 0.35 |
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224 125.844314575195 2225.98388671875 0.04 |
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225 128.070281982422 32862.80078125 0.66 |
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226 128.070991516113 7382.12426757812 0.15 |
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227 130.04967880249 12921.7691040039 0.26 |
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228 130.086532592773 3415.60205078125 0.07 |
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229 144.766357421875 23252.271484375 0.47 |
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230 146.028373718262 7016.0517578125 0.14 |
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231 146.059921264648 10817.2392578125 0.22 |
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232 146.117538452148 4981335.953125 100 |
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233 147.075866699219 2905.49487304688 0.06 |
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234 150.785629272461 2500.5302734375 0.05 |
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235 |
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236 RECORD_TITLE: MZ:146.1174 | RT:46.2 | grpid:62 | file:NA |
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237 MS$FOCUSED_ION: PRECURSOR_M/Z 146.117395027245 |
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238 AC$CHROMATOGRAPHY: RETENTION_TIME 46.161033 |
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239 XCMS groupid (grpid): 62 |
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planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
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changeset
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240 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 |
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241 PK$NUM_PEAK: 19 |
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242 PK$PEAK: m/z int. rel.int. |
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243 100.021862030029 18680.7416992188 0.38 |
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244 101.070411682129 2306.69653320312 0.05 |
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245 102.055847167969 2466.92114257812 0.05 |
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246 108.055778503418 11361.3504638672 0.23 |
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247 112.465751647949 20960.951171875 0.42 |
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248 114.566963195801 2266.10009765625 0.05 |
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249 115.129852294922 2413.13818359375 0.05 |
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250 118.065389633179 17228.7104492188 0.35 |
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251 125.844314575195 2225.98388671875 0.04 |
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252 128.070281982422 32862.80078125 0.66 |
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253 128.070991516113 7382.12426757812 0.15 |
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254 130.04967880249 12921.7691040039 0.26 |
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255 130.086532592773 3415.60205078125 0.07 |
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256 144.766357421875 23252.271484375 0.47 |
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257 146.028373718262 7016.0517578125 0.14 |
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258 146.059921264648 10817.2392578125 0.22 |
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259 146.117538452148 4981335.953125 100 |
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260 147.075866699219 2905.49487304688 0.06 |
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261 150.785629272461 2500.5302734375 0.05 |
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262 |
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263 RECORD_TITLE: MZ:147.0438 | RT:70.5 | grpid:63 | file:NA |
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264 MS$FOCUSED_ION: PRECURSOR_M/Z 147.043849698061 |
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265 AC$CHROMATOGRAPHY: RETENTION_TIME 70.461672 |
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266 XCMS groupid (grpid): 63 |
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267 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 |
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268 PK$NUM_PEAK: 24 |
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269 PK$PEAK: m/z int. rel.int. |
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270 101.071350097656 3517.31768798828 0.11 |
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271 102.047164916992 3041.80541992188 0.09 |
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272 102.055267333984 4384.31787109375 0.13 |
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273 103.048835754395 5009.00244140625 0.15 |
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274 103.054626464844 208935.12890625 6.39 |
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275 112.236755371094 2519.7568359375 0.08 |
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276 119.049339294434 3269072.0625 100 |
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277 120.011459350586 3004.84851074219 0.09 |
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278 123.77320098877 3188.40380859375 0.1 |
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279 124.979553222656 2343.61987304688 0.07 |
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280 126.545722961426 2381.10522460938 0.07 |
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281 129.07007598877 3479.66351318359 0.11 |
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282 129.10237121582 3090.92822265625 0.09 |
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283 130.05001449585 67457.0048828125 2.06 |
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284 130.076995849609 5364.62841796875 0.16 |
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285 130.086269378662 95221.994140625 2.91 |
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286 131.550384521484 3396.27563476562 0.1 |
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287 136.545654296875 2581.0390625 0.08 |
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288 147.043979644775 923498.71875 28.25 |
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289 147.079299926758 12881.609375 0.39 |
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290 147.080383300781 14796.041015625 0.45 |
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291 147.112648010254 9715.71276855469 0.3 |
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292 152.669158935547 2885.892578125 0.09 |
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293 160.075782775879 5639.66687011719 0.17 |
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294 |
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295 RECORD_TITLE: MZ:147.0438 | RT:70.5 | grpid:63 | file:NA |
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296 MS$FOCUSED_ION: PRECURSOR_M/Z 147.043849698061 |
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297 AC$CHROMATOGRAPHY: RETENTION_TIME 70.461672 |
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298 XCMS groupid (grpid): 63 |
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299 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 |
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300 PK$NUM_PEAK: 24 |
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301 PK$PEAK: m/z int. rel.int. |
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302 101.071350097656 3517.31768798828 0.11 |
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303 102.047164916992 3041.80541992188 0.09 |
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304 102.055267333984 4384.31787109375 0.13 |
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305 103.048835754395 5009.00244140625 0.15 |
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306 103.054626464844 208935.12890625 6.39 |
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307 112.236755371094 2519.7568359375 0.08 |
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308 119.049339294434 3269072.0625 100 |
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309 120.011459350586 3004.84851074219 0.09 |
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310 123.77320098877 3188.40380859375 0.1 |
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311 124.979553222656 2343.61987304688 0.07 |
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312 126.545722961426 2381.10522460938 0.07 |
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313 129.07007598877 3479.66351318359 0.11 |
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314 129.10237121582 3090.92822265625 0.09 |
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315 130.05001449585 67457.0048828125 2.06 |
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316 130.076995849609 5364.62841796875 0.16 |
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317 130.086269378662 95221.994140625 2.91 |
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318 131.550384521484 3396.27563476562 0.1 |
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319 136.545654296875 2581.0390625 0.08 |
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ca0ac330f1a4
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changeset
|
320 147.043979644775 923498.71875 28.25 |
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ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
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changeset
|
321 147.079299926758 12881.609375 0.39 |
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ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
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changeset
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322 147.080383300781 14796.041015625 0.45 |
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ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
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changeset
|
323 147.112648010254 9715.71276855469 0.3 |
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ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
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324 152.669158935547 2885.892578125 0.09 |
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ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
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325 160.075782775879 5639.66687011719 0.17 |
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ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
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326 |
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ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
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327 RECORD_TITLE: MZ:148.0427 | RT:64.4 | grpid:66 | file:NA |
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328 MS$FOCUSED_ION: PRECURSOR_M/Z 148.042683925669 |
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ca0ac330f1a4
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329 AC$CHROMATOGRAPHY: RETENTION_TIME 64.427298 |
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ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
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330 XCMS groupid (grpid): 66 |
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planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
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changeset
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331 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 |
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ca0ac330f1a4
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332 PK$NUM_PEAK: 19 |
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planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
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333 PK$PEAK: m/z int. rel.int. |
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planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
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334 102.001239776611 494904.296875 28.13 |
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ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
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|
335 102.037693023682 32286.736328125 1.84 |
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ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
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336 102.055305480957 25863.833984375 1.47 |
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ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
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337 102.902954101562 2297.19018554688 0.13 |
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ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
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338 103.082748413086 2655.95483398438 0.15 |
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ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
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|
339 120.011615753174 1759045.5 100 |
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ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
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340 122.01634979248 2559.43994140625 0.15 |
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ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
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341 130.050086975098 16121.740234375 0.92 |
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ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
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342 130.086097717285 5192.6826171875 0.3 |
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ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
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343 131.052658081055 3329.10791015625 0.19 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
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344 131.053466796875 4939.97802734375 0.28 |
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ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
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|
345 131.089218139648 4804.13818359375 0.27 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
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346 131.089935302734 3828.04296875 0.22 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
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347 133.019264221191 32773.8134765625 1.86 |
|
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planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
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|
348 134.02668762207 3603.13940429688 0.2 |
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ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
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349 134.027465820312 5199.03125 0.3 |
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ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
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changeset
|
350 148.042625427246 1528721.5625 86.91 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
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351 157.48600769043 2885.98486328125 0.16 |
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ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
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352 160.701766967773 2493.13793945312 0.14 |
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ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
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353 |
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planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
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354 RECORD_TITLE: MZ:148.0427 | RT:64.4 | grpid:66 | file:NA |
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ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
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changeset
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355 MS$FOCUSED_ION: PRECURSOR_M/Z 148.042683925669 |
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ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
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356 AC$CHROMATOGRAPHY: RETENTION_TIME 64.427298 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
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357 XCMS groupid (grpid): 66 |
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planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
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358 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 |
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ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
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changeset
|
359 PK$NUM_PEAK: 19 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
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360 PK$PEAK: m/z int. rel.int. |
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ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
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|
361 102.001239776611 494904.296875 28.13 |
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ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
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changeset
|
362 102.037693023682 32286.736328125 1.84 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
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|
363 102.055305480957 25863.833984375 1.47 |
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ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
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changeset
|
364 102.902954101562 2297.19018554688 0.13 |
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ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
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changeset
|
365 103.082748413086 2655.95483398438 0.15 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
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|
366 120.011615753174 1759045.5 100 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
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|
367 122.01634979248 2559.43994140625 0.15 |
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ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
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|
368 130.050086975098 16121.740234375 0.92 |
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ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
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369 130.086097717285 5192.6826171875 0.3 |
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ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
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370 131.052658081055 3329.10791015625 0.19 |
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ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
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371 131.053466796875 4939.97802734375 0.28 |
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ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
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|
372 131.089218139648 4804.13818359375 0.27 |
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ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
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373 131.089935302734 3828.04296875 0.22 |
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ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
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374 133.019264221191 32773.8134765625 1.86 |
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|
375 134.02668762207 3603.13940429688 0.2 |
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ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
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376 134.027465820312 5199.03125 0.3 |
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ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
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377 148.042625427246 1528721.5625 86.91 |
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ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
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378 157.48600769043 2885.98486328125 0.16 |
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ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
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379 160.701766967773 2493.13793945312 0.14 |
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planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
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380 |
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381 RECORD_TITLE: MZ:149.0263 | RT:91.2 | grpid:67 | file:NA |
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planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
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382 MS$FOCUSED_ION: PRECURSOR_M/Z 149.026338801704 |
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ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
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383 AC$CHROMATOGRAPHY: RETENTION_TIME 91.18956 |
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ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
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384 XCMS groupid (grpid): 67 |
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ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
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385 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 |
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ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
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386 PK$NUM_PEAK: 25 |
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ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
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387 PK$PEAK: m/z int. rel.int. |
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ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
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388 104.016593933105 35712.279296875 1.48 |
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ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
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|
389 109.031856536865 23852.3662109375 0.99 |
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ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
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changeset
|
390 110.097152709961 2624.76928710938 0.11 |
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ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
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changeset
|
391 111.011154174805 2415346 100 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
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changeset
|
392 112.343109130859 2894.3193359375 0.12 |
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ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
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changeset
|
393 113.01549911499 5338.9716796875 0.22 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
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|
394 115.005714416504 3792.97241210938 0.16 |
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ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
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changeset
|
395 116.986122131348 54931.22265625 2.27 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
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changeset
|
396 120.011371612549 254724.15625 10.55 |
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ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
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diff
changeset
|
397 121.015331268311 3790.49938964844 0.16 |
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ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
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changeset
|
398 121.028656005859 78045.68359375 3.23 |
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ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
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changeset
|
399 121.038391113281 5323.67114257812 0.22 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
400 121.065780639648 3160.08813476562 0.13 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
401 125.026542663574 18349.87890625 0.76 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
402 129.021514892578 76939.79296875 3.19 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
403 131.049354553223 7661.98791503906 0.32 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
404 132.047546386719 5366.337890625 0.22 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
405 134.026878356934 154087.6953125 6.38 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
406 134.996475219727 54266.62109375 2.25 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
407 136.622482299805 2669.64990234375 0.11 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
408 140.001815795898 5908.6142578125 0.24 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
409 149.026321411133 1661629.9375 68.79 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
410 152.037406921387 23825.5322265625 0.99 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
411 153.007194519043 11686.4731445312 0.48 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
412 158.012702941895 18203.15625 0.75 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
413 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
414 RECORD_TITLE: MZ:149.0263 | RT:91.2 | grpid:67 | file:NA |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
415 MS$FOCUSED_ION: PRECURSOR_M/Z 149.026338801704 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
416 AC$CHROMATOGRAPHY: RETENTION_TIME 91.18956 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
417 XCMS groupid (grpid): 67 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
418 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
419 PK$NUM_PEAK: 25 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
420 PK$PEAK: m/z int. rel.int. |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
421 104.016593933105 35712.279296875 1.48 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
422 109.031856536865 23852.3662109375 0.99 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
423 110.097152709961 2624.76928710938 0.11 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
424 111.011154174805 2415346 100 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
425 112.343109130859 2894.3193359375 0.12 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
426 113.01549911499 5338.9716796875 0.22 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
427 115.005714416504 3792.97241210938 0.16 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
428 116.986122131348 54931.22265625 2.27 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
429 120.011371612549 254724.15625 10.55 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
430 121.015331268311 3790.49938964844 0.16 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
431 121.028656005859 78045.68359375 3.23 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
432 121.038391113281 5323.67114257812 0.22 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
433 121.065780639648 3160.08813476562 0.13 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
434 125.026542663574 18349.87890625 0.76 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
435 129.021514892578 76939.79296875 3.19 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
436 131.049354553223 7661.98791503906 0.32 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
437 132.047546386719 5366.337890625 0.22 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
438 134.026878356934 154087.6953125 6.38 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
439 134.996475219727 54266.62109375 2.25 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
440 136.622482299805 2669.64990234375 0.11 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
441 140.001815795898 5908.6142578125 0.24 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
442 149.026321411133 1661629.9375 68.79 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
443 152.037406921387 23825.5322265625 0.99 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
444 153.007194519043 11686.4731445312 0.48 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
445 158.012702941895 18203.15625 0.75 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
446 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
447 RECORD_TITLE: MZ:150.0582 | RT:62.9 | grpid:68 | file:NA |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
448 MS$FOCUSED_ION: PRECURSOR_M/Z 150.058153535588 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
449 AC$CHROMATOGRAPHY: RETENTION_TIME 62.924034 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
450 XCMS groupid (grpid): 68 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
451 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
452 PK$NUM_PEAK: 26 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
453 PK$PEAK: m/z int. rel.int. |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
454 101.579109191895 20766.212890625 0.27 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
455 102.05541229248 2220236.12402344 29.19 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
456 103.99649810791 3555.7119140625 0.05 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
457 103.997314453125 2148.16162109375 0.03 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
458 104.053255081177 7605108.34375 100 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
459 105.000953674316 163845.359375 2.15 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
460 105.037208557129 269623.984375 3.55 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
461 106.336433410645 2694.6591796875 0.04 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
462 115.794555664062 2042.23522949219 0.03 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
463 117.98902130127 2109.99584960938 0.03 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
464 122.007400512695 14145.4965820312 0.19 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
465 122.059936523438 4208.95556640625 0.06 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
466 124.446136474609 1894.35131835938 0.02 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
467 133.03186416626 5109359 67.18 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
468 137.41633605957 30549.828125 0.4 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
469 143.242492675781 2529.74877929688 0.03 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
470 150.027221679688 17690.6416015625 0.23 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
471 150.03832244873 33152.48828125 0.44 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
472 150.058116912842 925014.542236328 12.16 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
473 150.090744018555 4340.6669921875 0.06 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
474 150.09162902832 3476.15454101562 0.05 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
475 150.112060546875 5071.3125 0.07 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
476 150.112930297852 3834.1953125 0.05 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
477 150.127395629883 4024.62670898438 0.05 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
478 150.128646850586 2830.20849609375 0.04 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
479 155.097625732422 22783.2734375 0.3 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
480 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
481 RECORD_TITLE: MZ:150.0582 | RT:62.9 | grpid:68 | file:NA |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
482 MS$FOCUSED_ION: PRECURSOR_M/Z 150.058153535588 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
483 AC$CHROMATOGRAPHY: RETENTION_TIME 62.924034 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
484 XCMS groupid (grpid): 68 |
|
ca0ac330f1a4
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_inter' msPurity version:1.11.0 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
486 PK$NUM_PEAK: 26 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
487 PK$PEAK: m/z int. rel.int. |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
488 101.579109191895 20766.212890625 0.27 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
489 102.05541229248 2220236.12402344 29.19 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
490 103.99649810791 3555.7119140625 0.05 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
491 103.997314453125 2148.16162109375 0.03 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
492 104.053255081177 7605108.34375 100 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
493 105.000953674316 163845.359375 2.15 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
494 105.037208557129 269623.984375 3.55 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
495 106.336433410645 2694.6591796875 0.04 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
496 115.794555664062 2042.23522949219 0.03 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
497 117.98902130127 2109.99584960938 0.03 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
498 122.007400512695 14145.4965820312 0.19 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
499 122.059936523438 4208.95556640625 0.06 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
500 124.446136474609 1894.35131835938 0.02 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
501 133.03186416626 5109359 67.18 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
502 137.41633605957 30549.828125 0.4 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
503 143.242492675781 2529.74877929688 0.03 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
504 150.027221679688 17690.6416015625 0.23 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
505 150.03832244873 33152.48828125 0.44 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
506 150.058116912842 925014.542236328 12.16 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
507 150.090744018555 4340.6669921875 0.06 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
508 150.09162902832 3476.15454101562 0.05 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
509 150.112060546875 5071.3125 0.07 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
510 150.112930297852 3834.1953125 0.05 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
511 150.127395629883 4024.62670898438 0.05 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
512 150.128646850586 2830.20849609375 0.04 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
513 155.097625732422 22783.2734375 0.3 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
514 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
515 RECORD_TITLE: MZ:153.0407 | RT:84.2 | grpid:72 | file:NA |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
516 MS$FOCUSED_ION: PRECURSOR_M/Z 153.040721562011 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
517 AC$CHROMATOGRAPHY: RETENTION_TIME 84.215802 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
518 XCMS groupid (grpid): 72 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
519 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
520 PK$NUM_PEAK: 32 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
521 PK$PEAK: m/z int. rel.int. |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
522 100.120269775391 2219.037109375 0.07 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
523 107.08572769165 9638.64379882812 0.29 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
524 108.01940536499 11101.5715332031 0.33 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
525 108.443885803223 2329.408203125 0.07 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
526 109.10099029541 3362.6435546875 0.1 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
527 110.03524017334 1040448.5625 30.96 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
528 111.044418334961 11947.40625 0.36 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
529 111.080368041992 2874.97290039062 0.09 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
530 113.00806427002 19917.9453125 0.59 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
531 114.882606506348 2383.2900390625 0.07 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
532 115.012451171875 20400.2109375 0.61 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
533 116.986112594604 7131.04992675781 0.21 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
534 121.812217712402 11519.919921875 0.34 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
535 125.060371398926 3947.40478515625 0.12 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
536 125.071716308594 3712.6376953125 0.11 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
537 128.045635223389 210977.275390625 6.28 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
538 134.996379852295 8052.63696289062 0.24 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
539 135.030235290527 26238.5684204102 0.78 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
540 135.080642700195 3373.82641601562 0.1 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
541 135.117233276367 3593.927734375 0.11 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
542 135.805206298828 11823.5634765625 0.35 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
543 136.014175415039 1276133.3359375 37.97 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
544 137.058334350586 2331.7724609375 0.07 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
545 140.413299560547 2165.29467773438 0.06 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
546 146.555084228516 2194.45166015625 0.07 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
547 148.740234375 2312.7158203125 0.07 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
548 153.040702819824 3360667.8125 100 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
549 153.090744018555 15144.04296875 0.45 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
550 153.127330780029 12183.8775634766 0.36 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
551 154.02466583252 1512312.21875 45 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
552 158.011642456055 3504.88745117188 0.1 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
553 168.04069519043 26535.353515625 0.79 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
554 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
555 RECORD_TITLE: MZ:153.0407 | RT:84.2 | grpid:72 | file:NA |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
556 MS$FOCUSED_ION: PRECURSOR_M/Z 153.040721562011 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
557 AC$CHROMATOGRAPHY: RETENTION_TIME 84.215802 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
558 XCMS groupid (grpid): 72 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
559 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
560 PK$NUM_PEAK: 32 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
561 PK$PEAK: m/z int. rel.int. |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
562 100.120269775391 2219.037109375 0.07 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
563 107.08572769165 9638.64379882812 0.29 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
564 108.01940536499 11101.5715332031 0.33 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
565 108.443885803223 2329.408203125 0.07 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
566 109.10099029541 3362.6435546875 0.1 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
567 110.03524017334 1040448.5625 30.96 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
568 111.044418334961 11947.40625 0.36 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
569 111.080368041992 2874.97290039062 0.09 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
570 113.00806427002 19917.9453125 0.59 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
571 114.882606506348 2383.2900390625 0.07 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
572 115.012451171875 20400.2109375 0.61 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
573 116.986112594604 7131.04992675781 0.21 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
574 121.812217712402 11519.919921875 0.34 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
575 125.060371398926 3947.40478515625 0.12 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
576 125.071716308594 3712.6376953125 0.11 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
577 128.045635223389 210977.275390625 6.28 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
578 134.996379852295 8052.63696289062 0.24 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
579 135.030235290527 26238.5684204102 0.78 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
580 135.080642700195 3373.82641601562 0.1 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
581 135.117233276367 3593.927734375 0.11 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
582 135.805206298828 11823.5634765625 0.35 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
583 136.014175415039 1276133.3359375 37.97 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
584 137.058334350586 2331.7724609375 0.07 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
585 140.413299560547 2165.29467773438 0.06 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
586 146.555084228516 2194.45166015625 0.07 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
587 148.740234375 2312.7158203125 0.07 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
588 153.040702819824 3360667.8125 100 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
589 153.090744018555 15144.04296875 0.45 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
590 153.127330780029 12183.8775634766 0.36 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
591 154.02466583252 1512312.21875 45 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
592 158.011642456055 3504.88745117188 0.1 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
593 168.04069519043 26535.353515625 0.79 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
594 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
595 RECORD_TITLE: MZ:156.0762 | RT:47.7 | grpid:75 | file:NA |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
596 MS$FOCUSED_ION: PRECURSOR_M/Z 156.076172444314 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
597 AC$CHROMATOGRAPHY: RETENTION_TIME 47.662548 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
598 XCMS groupid (grpid): 75 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
599 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
600 PK$NUM_PEAK: 9 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
601 PK$PEAK: m/z int. rel.int. |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
602 110.071624755859 233266.3125 49.12 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
603 111.068424224854 75318.78125 15.86 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
604 111.074996948242 474849.578125 100 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
605 121.10139465332 2579.52172851562 0.54 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
606 130.062957763672 212641.395141602 44.78 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
607 139.086585998535 11337.1794433594 2.39 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
608 139.111877441406 3248.52099609375 0.68 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
609 157.080718994141 80493.08203125 16.95 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
610 157.097686767578 8786.46240234375 1.85 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
611 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
612 RECORD_TITLE: MZ:156.0762 | RT:47.7 | grpid:75 | file:NA |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
613 MS$FOCUSED_ION: PRECURSOR_M/Z 156.076172444314 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
614 AC$CHROMATOGRAPHY: RETENTION_TIME 47.662548 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
615 XCMS groupid (grpid): 75 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
616 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
617 PK$NUM_PEAK: 9 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
618 PK$PEAK: m/z int. rel.int. |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
619 110.071624755859 233266.3125 49.12 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
620 111.068424224854 75318.78125 15.86 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
621 111.074996948242 474849.578125 100 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
622 121.10139465332 2579.52172851562 0.54 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
623 130.062957763672 212641.395141602 44.78 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
624 139.086585998535 11337.1794433594 2.39 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
625 139.111877441406 3248.52099609375 0.68 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
626 157.080718994141 80493.08203125 16.95 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
627 157.097686767578 8786.46240234375 1.85 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
628 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
629 RECORD_TITLE: MZ:158.0912 | RT:43.9 | grpid:77 | file:NA |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
630 MS$FOCUSED_ION: PRECURSOR_M/Z 158.091194778484 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
631 AC$CHROMATOGRAPHY: RETENTION_TIME 43.9150368 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
632 XCMS groupid (grpid): 77 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
633 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
634 PK$NUM_PEAK: 16 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
635 PK$PEAK: m/z int. rel.int. |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
636 102.091789245605 36397.75 12.2 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
637 107.244758605957 2121.91967773438 0.71 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
638 110.071487426758 4605.98937988281 1.54 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
639 112.079177856445 4014.5673828125 1.35 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
640 112.087253570557 135874.2734375 45.55 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
641 113.071388244629 4898.7001953125 1.64 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
642 115.08674621582 2881.50634765625 0.97 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
643 116.070934295654 40194.537109375 13.47 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
644 131.929992675781 2230.50756835938 0.75 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
645 141.065773010254 8455.18334960938 2.83 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
646 154.506774902344 2119.57861328125 0.71 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
647 158.092407226562 298314.3125 100 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
648 158.153930664062 75786.8203125 25.41 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
649 158.583435058594 2426.4375 0.81 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
650 159.07698059082 3112.70642089844 1.04 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
651 159.090621948242 2369.67138671875 0.79 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
652 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
653 RECORD_TITLE: MZ:158.0912 | RT:43.9 | grpid:77 | file:NA |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
654 MS$FOCUSED_ION: PRECURSOR_M/Z 158.091194778484 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
655 AC$CHROMATOGRAPHY: RETENTION_TIME 43.9150368 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
656 XCMS groupid (grpid): 77 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
657 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
658 PK$NUM_PEAK: 16 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
659 PK$PEAK: m/z int. rel.int. |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
660 102.091789245605 36397.75 12.2 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
661 107.244758605957 2121.91967773438 0.71 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
662 110.071487426758 4605.98937988281 1.54 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
663 112.079177856445 4014.5673828125 1.35 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
664 112.087253570557 135874.2734375 45.55 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
665 113.071388244629 4898.7001953125 1.64 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
666 115.08674621582 2881.50634765625 0.97 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
667 116.070934295654 40194.537109375 13.47 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
668 131.929992675781 2230.50756835938 0.75 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
669 141.065773010254 8455.18334960938 2.83 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
670 154.506774902344 2119.57861328125 0.71 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
671 158.092407226562 298314.3125 100 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
672 158.153930664062 75786.8203125 25.41 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
673 158.583435058594 2426.4375 0.81 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
674 159.07698059082 3112.70642089844 1.04 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
675 159.090621948242 2369.67138671875 0.79 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
676 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
677 RECORD_TITLE: MZ:164.93 | RT:40.2 | grpid:88 | file:NA |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
678 MS$FOCUSED_ION: PRECURSOR_M/Z 164.929981664987 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
679 AC$CHROMATOGRAPHY: RETENTION_TIME 40.1901702 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
680 XCMS groupid (grpid): 88 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
681 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
682 PK$NUM_PEAK: 4 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
683 PK$PEAK: m/z int. rel.int. |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
684 113.554153442383 2184.888671875 0.2 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
685 140.266235351562 2726.23486328125 0.25 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
686 164.930236816406 1078114.4375 100 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
687 165.09033203125 2780.28442382812 0.26 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
688 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
689 RECORD_TITLE: MZ:164.93 | RT:40.2 | grpid:88 | file:NA |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
690 MS$FOCUSED_ION: PRECURSOR_M/Z 164.929981664987 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
691 AC$CHROMATOGRAPHY: RETENTION_TIME 40.1901702 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
692 XCMS groupid (grpid): 88 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
693 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
694 PK$NUM_PEAK: 4 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
695 PK$PEAK: m/z int. rel.int. |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
696 113.554153442383 2184.888671875 0.2 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
697 140.266235351562 2726.23486328125 0.25 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
698 164.930236816406 1078114.4375 100 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
699 165.09033203125 2780.28442382812 0.26 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
700 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
701 RECORD_TITLE: MZ:165.0545 | RT:70.5 | grpid:89 | file:NA |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
702 MS$FOCUSED_ION: PRECURSOR_M/Z 165.054460611227 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
703 AC$CHROMATOGRAPHY: RETENTION_TIME 70.461672 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
704 XCMS groupid (grpid): 89 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
705 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
706 PK$NUM_PEAK: 26 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
707 PK$PEAK: m/z int. rel.int. |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
708 100.539291381836 3935.75927734375 0.06 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
709 103.047622680664 7486.65576171875 0.11 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
710 103.054666519165 271154.845703125 4.11 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
711 105.04483795166 33739.1015625 0.51 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
712 107.049537658691 8096.30053710938 0.12 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
713 109.065114974976 204048.1640625 3.09 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
714 110.195671081543 2245.8408203125 0.03 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
715 112.572219848633 2393.64599609375 0.04 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
716 118.064872741699 5888.3603515625 0.09 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
717 119.049356460571 3022723.1640625 45.78 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
718 119.961051940918 2566.78955078125 0.04 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
719 120.056350708008 3493.94995117188 0.05 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
720 120.057350158691 6141.52197265625 0.09 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
721 120.808494567871 3175.38256835938 0.05 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
722 121.065013885498 158455.069091797 2.4 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
723 123.044193267822 6602083.125 100 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
724 135.623550415039 2902.09716796875 0.04 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
725 137.049652099609 5130.408203125 0.08 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
726 137.059581756592 146661.445068359 2.22 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
727 137.070190429688 8523.322265625 0.13 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
728 137.0966796875 2327.9169921875 0.04 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
729 147.043960571289 1275341.73632812 19.32 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
730 160.074890136719 7089.93896484375 0.11 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
731 164.0703125 23256.6977539062 0.35 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
732 165.05456161499 358915.645507812 5.44 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
733 165.091033935547 3725.4970703125 0.06 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
734 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
735 RECORD_TITLE: MZ:165.0545 | RT:70.5 | grpid:89 | file:NA |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
736 MS$FOCUSED_ION: PRECURSOR_M/Z 165.054460611227 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
737 AC$CHROMATOGRAPHY: RETENTION_TIME 70.461672 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
738 XCMS groupid (grpid): 89 |
|
ca0ac330f1a4
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_inter' msPurity version:1.11.0 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
740 PK$NUM_PEAK: 26 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
741 PK$PEAK: m/z int. rel.int. |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
742 100.539291381836 3935.75927734375 0.06 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
743 103.047622680664 7486.65576171875 0.11 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
744 103.054666519165 271154.845703125 4.11 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
745 105.04483795166 33739.1015625 0.51 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
746 107.049537658691 8096.30053710938 0.12 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
747 109.065114974976 204048.1640625 3.09 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
748 110.195671081543 2245.8408203125 0.03 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
749 112.572219848633 2393.64599609375 0.04 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
750 118.064872741699 5888.3603515625 0.09 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
751 119.049356460571 3022723.1640625 45.78 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
752 119.961051940918 2566.78955078125 0.04 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
753 120.056350708008 3493.94995117188 0.05 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
754 120.057350158691 6141.52197265625 0.09 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
755 120.808494567871 3175.38256835938 0.05 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
756 121.065013885498 158455.069091797 2.4 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
757 123.044193267822 6602083.125 100 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
758 135.623550415039 2902.09716796875 0.04 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
759 137.049652099609 5130.408203125 0.08 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
760 137.059581756592 146661.445068359 2.22 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
761 137.070190429688 8523.322265625 0.13 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
762 137.0966796875 2327.9169921875 0.04 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
763 147.043960571289 1275341.73632812 19.32 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
764 160.074890136719 7089.93896484375 0.11 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
765 164.0703125 23256.6977539062 0.35 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
766 165.05456161499 358915.645507812 5.44 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
767 165.091033935547 3725.4970703125 0.06 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
768 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
769 RECORD_TITLE: MZ:170.0922 | RT:61.4 | grpid:97 | file:NA |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
770 MS$FOCUSED_ION: PRECURSOR_M/Z 170.092213123268 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
771 AC$CHROMATOGRAPHY: RETENTION_TIME 61.39704 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
772 XCMS groupid (grpid): 97 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
773 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
774 PK$NUM_PEAK: 10 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
775 PK$PEAK: m/z int. rel.int. |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
776 107.060688018799 14660.7255859375 0.26 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
777 109.076358795166 926656.0625 16.67 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
778 124.087062835693 5558419.25 100 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
779 125.071048736572 100587.65625 1.81 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
780 126.102569580078 26511.75390625 0.48 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
781 152.082084655762 6166.54272460938 0.11 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
782 153.064628601074 7258.8037109375 0.13 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
783 153.065475463867 16002.173828125 0.29 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
784 153.075119018555 9385.91162109375 0.17 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
785 170.09236907959 1250927.875 22.51 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
786 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
787 RECORD_TITLE: MZ:170.0922 | RT:61.4 | grpid:97 | file:NA |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
788 MS$FOCUSED_ION: PRECURSOR_M/Z 170.092213123268 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
789 AC$CHROMATOGRAPHY: RETENTION_TIME 61.39704 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
790 XCMS groupid (grpid): 97 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
791 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
792 PK$NUM_PEAK: 10 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
793 PK$PEAK: m/z int. rel.int. |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
794 107.060688018799 14660.7255859375 0.26 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
795 109.076358795166 926656.0625 16.67 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
796 124.087062835693 5558419.25 100 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
797 125.071048736572 100587.65625 1.81 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
798 126.102569580078 26511.75390625 0.48 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
799 152.082084655762 6166.54272460938 0.11 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
800 153.064628601074 7258.8037109375 0.13 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
801 153.065475463867 16002.173828125 0.29 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
802 153.075119018555 9385.91162109375 0.17 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
803 170.09236907959 1250927.875 22.51 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
804 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
805 RECORD_TITLE: MZ:178.0573 | RT:45.4 | grpid:106 | file:NA |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
806 MS$FOCUSED_ION: PRECURSOR_M/Z 178.057265428919 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
807 AC$CHROMATOGRAPHY: RETENTION_TIME 45.3966672 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
808 XCMS groupid (grpid): 106 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
809 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
810 PK$NUM_PEAK: 11 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
811 PK$PEAK: m/z int. rel.int. |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
812 105.042713165283 16808.7358398438 1.11 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
813 119.994201660156 3506.71118164062 0.23 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
814 132.053298950195 6451.77587890625 0.43 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
815 133.037307739258 324738.65625 21.5 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
816 134.069061279297 18188.61328125 1.2 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
817 139.946014404297 3551.38818359375 0.24 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
818 160.047637939453 14908.2802734375 0.99 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
819 160.048583984375 23262.9453125 1.54 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
820 161.032402038574 5563.55102539062 0.37 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
821 178.058639526367 1510599.6875 100 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
822 182.990447998047 3695.43188476562 0.24 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
823 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
824 RECORD_TITLE: MZ:178.0573 | RT:45.4 | grpid:106 | file:NA |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
825 MS$FOCUSED_ION: PRECURSOR_M/Z 178.057265428919 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
826 AC$CHROMATOGRAPHY: RETENTION_TIME 45.3966672 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
827 XCMS groupid (grpid): 106 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
828 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
829 PK$NUM_PEAK: 11 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
830 PK$PEAK: m/z int. rel.int. |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
831 105.042713165283 16808.7358398438 1.11 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
832 119.994201660156 3506.71118164062 0.23 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
833 132.053298950195 6451.77587890625 0.43 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
834 133.037307739258 324738.65625 21.5 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
835 134.069061279297 18188.61328125 1.2 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
836 139.946014404297 3551.38818359375 0.24 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
837 160.047637939453 14908.2802734375 0.99 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
838 160.048583984375 23262.9453125 1.54 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
839 161.032402038574 5563.55102539062 0.37 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
840 178.058639526367 1510599.6875 100 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
841 182.990447998047 3695.43188476562 0.24 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
842 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
843 RECORD_TITLE: MZ:182.081 | RT:70.5 | grpid:114 | file:NA |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
844 MS$FOCUSED_ION: PRECURSOR_M/Z 182.080982868609 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
845 AC$CHROMATOGRAPHY: RETENTION_TIME 70.461672 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
846 XCMS groupid (grpid): 114 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
847 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
848 PK$NUM_PEAK: 12 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
849 PK$PEAK: m/z int. rel.int. |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
850 103.054681777954 113428.3828125 1.71 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
851 107.049457550049 85312.125 1.28 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
852 109.065076828003 87073.6279296875 1.31 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
853 118.065277099609 100104.348632812 1.51 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
854 119.049367904663 2614291.5625 39.36 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
855 121.06492805481 120164.5390625 1.81 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
856 123.044221878052 4717048.75 71.01 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
857 136.075645446777 6642431.25 100 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
858 137.059688568115 54420.5151367188 0.82 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
859 147.043956756592 1662636.09375 25.03 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
860 165.054576873779 3262966.6875 49.12 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
861 182.081039428711 306476.10546875 4.61 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
862 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
863 RECORD_TITLE: MZ:182.081 | RT:70.5 | grpid:114 | file:NA |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
864 MS$FOCUSED_ION: PRECURSOR_M/Z 182.080982868609 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
865 AC$CHROMATOGRAPHY: RETENTION_TIME 70.461672 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
866 XCMS groupid (grpid): 114 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
867 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
868 PK$NUM_PEAK: 12 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
869 PK$PEAK: m/z int. rel.int. |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
870 103.054681777954 113428.3828125 1.71 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
871 107.049457550049 85312.125 1.28 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
872 109.065076828003 87073.6279296875 1.31 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
873 118.065277099609 100104.348632812 1.51 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
874 119.049367904663 2614291.5625 39.36 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
875 121.06492805481 120164.5390625 1.81 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
876 123.044221878052 4717048.75 71.01 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
877 136.075645446777 6642431.25 100 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
878 137.059688568115 54420.5151367188 0.82 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
879 147.043956756592 1662636.09375 25.03 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
880 165.054576873779 3262966.6875 49.12 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
881 182.081039428711 306476.10546875 4.61 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
882 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
883 RECORD_TITLE: MZ:189.1238 | RT:49.2 | grpid:127 | file:NA |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
884 MS$FOCUSED_ION: PRECURSOR_M/Z 189.123836918215 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
885 AC$CHROMATOGRAPHY: RETENTION_TIME 49.182402 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
886 XCMS groupid (grpid): 127 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
887 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
888 PK$NUM_PEAK: 17 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
889 PK$PEAK: m/z int. rel.int. |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
890 115.086891174316 12369.7568359375 8.02 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
891 116.070854187012 90257.0703125 58.5 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
892 118.086570739746 154277.84765625 100 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
893 129.102462768555 14589.509765625 9.46 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
894 130.086441040039 16181.8889160156 10.49 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
895 133.097732543945 11934.60546875 7.74 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
896 143.117973327637 42723.603515625 27.69 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
897 144.113090515137 38923.36328125 25.23 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
898 158.09294128418 10558.861328125 6.84 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
899 172.108360290527 9562.09716796875 6.2 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
900 183.845306396484 3709.67822265625 2.4 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
901 189.122100830078 29789.7734375 19.31 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
902 189.123382568359 82376.6484375 53.39 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
903 189.135848999023 52375.484375 33.95 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
904 189.136917114258 98533.8515625 63.87 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
905 189.159866333008 3757.07299804688 2.44 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
906 207.453216552734 2729.31713867188 1.77 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
907 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
908 RECORD_TITLE: MZ:189.1238 | RT:49.2 | grpid:127 | file:NA |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
909 MS$FOCUSED_ION: PRECURSOR_M/Z 189.123836918215 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
910 AC$CHROMATOGRAPHY: RETENTION_TIME 49.182402 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
911 XCMS groupid (grpid): 127 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
912 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
913 PK$NUM_PEAK: 17 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
914 PK$PEAK: m/z int. rel.int. |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
915 115.086891174316 12369.7568359375 8.02 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
916 116.070854187012 90257.0703125 58.5 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
917 118.086570739746 154277.84765625 100 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
918 129.102462768555 14589.509765625 9.46 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
919 130.086441040039 16181.8889160156 10.49 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
920 133.097732543945 11934.60546875 7.74 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
921 143.117973327637 42723.603515625 27.69 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
922 144.113090515137 38923.36328125 25.23 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
923 158.09294128418 10558.861328125 6.84 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
924 172.108360290527 9562.09716796875 6.2 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
925 183.845306396484 3709.67822265625 2.4 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
926 189.122100830078 29789.7734375 19.31 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
927 189.123382568359 82376.6484375 53.39 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
928 189.135848999023 52375.484375 33.95 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
929 189.136917114258 98533.8515625 63.87 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
930 189.159866333008 3757.07299804688 2.44 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
931 207.453216552734 2729.31713867188 1.77 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
932 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
933 RECORD_TITLE: MZ:191.0419 | RT:41.7 | grpid:131 | file:NA |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
934 MS$FOCUSED_ION: PRECURSOR_M/Z 191.041908724489 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
935 AC$CHROMATOGRAPHY: RETENTION_TIME 41.6846646 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
936 XCMS groupid (grpid): 131 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
937 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
938 PK$NUM_PEAK: 11 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
939 PK$PEAK: m/z int. rel.int. |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
940 102.055397033691 6061.30029296875 0.19 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
941 111.853385925293 4386.8701171875 0.14 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
942 115.874839782715 4441.072265625 0.14 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
943 116.986557006836 4422.6650390625 0.14 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
944 120.003273010254 7490.83056640625 0.23 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
945 120.065788269043 36437.609375 1.13 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
946 130.024032592773 6415.89990234375 0.2 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
947 133.80451965332 5088.212890625 0.16 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
948 173.029708862305 610622 18.98 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
949 191.040267944336 3217774.75 100 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
950 191.076446533203 999525 31.06 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
951 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
952 RECORD_TITLE: MZ:191.0419 | RT:41.7 | grpid:131 | file:NA |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
953 MS$FOCUSED_ION: PRECURSOR_M/Z 191.041908724489 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
954 AC$CHROMATOGRAPHY: RETENTION_TIME 41.6846646 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
955 XCMS groupid (grpid): 131 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
956 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
957 PK$NUM_PEAK: 11 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
958 PK$PEAK: m/z int. rel.int. |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
959 102.055397033691 6061.30029296875 0.19 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
960 111.853385925293 4386.8701171875 0.14 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
961 115.874839782715 4441.072265625 0.14 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
962 116.986557006836 4422.6650390625 0.14 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
963 120.003273010254 7490.83056640625 0.23 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
964 120.065788269043 36437.609375 1.13 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
965 130.024032592773 6415.89990234375 0.2 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
966 133.80451965332 5088.212890625 0.16 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
967 173.029708862305 610622 18.98 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
968 191.040267944336 3217774.75 100 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
969 191.076446533203 999525 31.06 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
970 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
971 RECORD_TITLE: MZ:192.07 | RT:121.8 | grpid:134 | file:NA |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
972 MS$FOCUSED_ION: PRECURSOR_M/Z 192.070004316993 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
973 AC$CHROMATOGRAPHY: RETENTION_TIME 121.840812 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
974 XCMS groupid (grpid): 134 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
975 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
976 PK$NUM_PEAK: 9 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
977 PK$PEAK: m/z int. rel.int. |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
978 102.055397033691 3442.68041992188 4.92 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
979 104.053359985352 70038.1953125 100 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
980 133.031921386719 29066.0625 41.5 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
981 144.065444946289 54286.5 77.51 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
982 146.063888549805 4671.99365234375 6.67 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
983 150.05842590332 24492.08984375 34.97 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
984 171.473907470703 2700.43920898438 3.86 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
985 181.562118530273 2402.322265625 3.43 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
986 193.007995605469 2239.99389648438 3.2 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
987 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
988 RECORD_TITLE: MZ:192.07 | RT:121.8 | grpid:134 | file:NA |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
989 MS$FOCUSED_ION: PRECURSOR_M/Z 192.070004316993 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
990 AC$CHROMATOGRAPHY: RETENTION_TIME 121.840812 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
991 XCMS groupid (grpid): 134 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
992 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
993 PK$NUM_PEAK: 9 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
994 PK$PEAK: m/z int. rel.int. |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
995 102.055397033691 3442.68041992188 4.92 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
996 104.053359985352 70038.1953125 100 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
997 133.031921386719 29066.0625 41.5 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
998 144.065444946289 54286.5 77.51 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
999 146.063888549805 4671.99365234375 6.67 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1000 150.05842590332 24492.08984375 34.97 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1001 171.473907470703 2700.43920898438 3.86 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1002 181.562118530273 2402.322265625 3.43 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1003 193.007995605469 2239.99389648438 3.2 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1004 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1005 RECORD_TITLE: MZ:194.034 | RT:45.4 | grpid:136 | file:NA |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1006 MS$FOCUSED_ION: PRECURSOR_M/Z 194.033955868316 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1007 AC$CHROMATOGRAPHY: RETENTION_TIME 45.3966672 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1008 XCMS groupid (grpid): 136 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1009 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1010 PK$NUM_PEAK: 7 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1011 PK$PEAK: m/z int. rel.int. |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1012 103.315864562988 2078.95581054688 57.1 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1013 125.504974365234 2372.77172851562 65.17 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1014 141.887588500977 2384.751953125 65.5 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1015 146.027267456055 2972.51196289062 81.64 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1016 158.080490112305 2836.72119140625 77.91 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1017 158.081451416016 3618.328125 99.38 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1018 194.03254699707 3640.81140136719 100 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1019 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1020 RECORD_TITLE: MZ:194.034 | RT:45.4 | grpid:136 | file:NA |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1021 MS$FOCUSED_ION: PRECURSOR_M/Z 194.033955868316 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1022 AC$CHROMATOGRAPHY: RETENTION_TIME 45.3966672 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1023 XCMS groupid (grpid): 136 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1024 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1025 PK$NUM_PEAK: 7 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1026 PK$PEAK: m/z int. rel.int. |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1027 103.315864562988 2078.95581054688 57.1 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1028 125.504974365234 2372.77172851562 65.17 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1029 141.887588500977 2384.751953125 65.5 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1030 146.027267456055 2972.51196289062 81.64 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1031 158.080490112305 2836.72119140625 77.91 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1032 158.081451416016 3618.328125 99.38 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1033 194.03254699707 3640.81140136719 100 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1034 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1035 RECORD_TITLE: MZ:200.039 | RT:43.9 | grpid:143 | file:NA |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1036 MS$FOCUSED_ION: PRECURSOR_M/Z 200.039036175676 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1037 AC$CHROMATOGRAPHY: RETENTION_TIME 43.9150368 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1038 XCMS groupid (grpid): 143 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1039 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1040 PK$NUM_PEAK: 16 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1041 PK$PEAK: m/z int. rel.int. |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1042 112.010238647461 2995.43188476562 0.14 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1043 117.042625427246 5699.3125 0.28 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1044 117.987670898438 69695.6328125 3.37 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1045 123.095741271973 2928.32397460938 0.14 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1046 127.032516479492 12711.5666503906 0.62 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1047 132.053337097168 38099.525390625 1.84 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1048 140.045013427734 2847.90087890625 0.14 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1049 140.994979858398 36973.73828125 1.79 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1050 142.598937988281 2839.74487304688 0.14 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1051 146.361755371094 2998.41796875 0.15 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1052 154.03507232666 12881.8227539062 0.62 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1053 155.018844604492 3944.63305664062 0.19 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1054 182.029487609863 5125.34423828125 0.25 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1055 183.013626098633 4026.23034667969 0.19 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1056 200.040573120117 2066456.25 100 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1057 207.421112060547 3210.24487304688 0.16 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1058 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1059 RECORD_TITLE: MZ:200.039 | RT:43.9 | grpid:143 | file:NA |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1060 MS$FOCUSED_ION: PRECURSOR_M/Z 200.039036175676 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1061 AC$CHROMATOGRAPHY: RETENTION_TIME 43.9150368 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1062 XCMS groupid (grpid): 143 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1063 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1064 PK$NUM_PEAK: 16 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1065 PK$PEAK: m/z int. rel.int. |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1066 112.010238647461 2995.43188476562 0.14 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1067 117.042625427246 5699.3125 0.28 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1068 117.987670898438 69695.6328125 3.37 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1069 123.095741271973 2928.32397460938 0.14 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1070 127.032516479492 12711.5666503906 0.62 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1071 132.053337097168 38099.525390625 1.84 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1072 140.045013427734 2847.90087890625 0.14 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1073 140.994979858398 36973.73828125 1.79 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1074 142.598937988281 2839.74487304688 0.14 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1075 146.361755371094 2998.41796875 0.15 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1076 154.03507232666 12881.8227539062 0.62 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1077 155.018844604492 3944.63305664062 0.19 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1078 182.029487609863 5125.34423828125 0.25 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1079 183.013626098633 4026.23034667969 0.19 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1080 200.040573120117 2066456.25 100 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1081 207.421112060547 3210.24487304688 0.16 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1082 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1083 RECORD_TITLE: MZ:203.139 | RT:72 | grpid:150 | file:NA |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1084 MS$FOCUSED_ION: PRECURSOR_M/Z 203.139004267186 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1085 AC$CHROMATOGRAPHY: RETENTION_TIME 72.006432 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1086 XCMS groupid (grpid): 150 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1087 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1088 PK$NUM_PEAK: 18 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1089 PK$PEAK: m/z int. rel.int. |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1090 116.071062088013 17376.2722167969 5.66 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1091 119.019195556641 2770.42236328125 0.9 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1092 125.07137298584 5385.11376953125 1.75 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1093 130.085556030273 6449.21875 2.1 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1094 132.101989746094 307195.5078125 100 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1095 138.387115478516 2774.31958007812 0.9 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1096 140.106964111328 22111.2734375 7.2 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1097 157.133731842041 32506.7156982422 10.58 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1098 158.128875732422 15111.2236328125 4.92 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1099 161.096382141113 8885.09887695312 2.89 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1100 170.445693969727 5899.7978515625 1.92 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1101 185.7109375 6658.5439453125 2.17 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1102 203.111068725586 10820.138671875 3.52 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1103 203.120208740234 7331.47412109375 2.39 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1104 203.138000488281 101691.2578125 33.1 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1105 203.139312744141 47779.91796875 15.55 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1106 203.152606964111 14545.0900268555 4.73 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1107 204.817932128906 6029.38134765625 1.96 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1108 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1109 RECORD_TITLE: MZ:203.139 | RT:72 | grpid:150 | file:NA |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1110 MS$FOCUSED_ION: PRECURSOR_M/Z 203.139004267186 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1111 AC$CHROMATOGRAPHY: RETENTION_TIME 72.006432 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1112 XCMS groupid (grpid): 150 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1113 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1114 PK$NUM_PEAK: 18 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1115 PK$PEAK: m/z int. rel.int. |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1116 116.071062088013 17376.2722167969 5.66 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1117 119.019195556641 2770.42236328125 0.9 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1118 125.07137298584 5385.11376953125 1.75 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1119 130.085556030273 6449.21875 2.1 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1120 132.101989746094 307195.5078125 100 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1121 138.387115478516 2774.31958007812 0.9 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1122 140.106964111328 22111.2734375 7.2 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1123 157.133731842041 32506.7156982422 10.58 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1124 158.128875732422 15111.2236328125 4.92 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1125 161.096382141113 8885.09887695312 2.89 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1126 170.445693969727 5899.7978515625 1.92 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1127 185.7109375 6658.5439453125 2.17 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1128 203.111068725586 10820.138671875 3.52 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1129 203.120208740234 7331.47412109375 2.39 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1130 203.138000488281 101691.2578125 33.1 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1131 203.139312744141 47779.91796875 15.55 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1132 203.152606964111 14545.0900268555 4.73 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1133 204.817932128906 6029.38134765625 1.96 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1134 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1135 RECORD_TITLE: MZ:204.1213 | RT:56.8 | grpid:152 | file:NA |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1136 MS$FOCUSED_ION: PRECURSOR_M/Z 204.121345376641 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1137 AC$CHROMATOGRAPHY: RETENTION_TIME 56.7980382 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1138 XCMS groupid (grpid): 152 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1139 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1140 PK$NUM_PEAK: 26 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1141 PK$PEAK: m/z int. rel.int. |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1142 101.024070739746 2549.65844726562 0.09 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1143 103.039485931396 24553.8669433594 0.91 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1144 103.384941101074 28550.306640625 1.06 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1145 109.028610229492 9569.9111328125 0.35 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1146 110.023971557617 2709.85107421875 0.1 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1147 113.250282287598 26210.8046875 0.97 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1148 116.070835113525 52000.734375 1.92 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1149 117.074264526367 58102.080078125 2.15 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1150 124.08716583252 16795.25390625 0.62 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1151 125.880447387695 2691.83837890625 0.1 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1152 126.055076599121 70309.458984375 2.6 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1153 127.039108276367 3200.34375 0.12 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1154 129.07829284668 98631.4765625 3.65 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1155 138.054885864258 117277.533203125 4.34 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1156 144.065483093262 36720.7529296875 1.36 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1157 144.090408325195 25124.802734375 0.93 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1158 144.10181427002 386357.205078125 14.28 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1159 145.037979125977 4413.583984375 0.16 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1160 145.049507141113 1174786.94335938 43.44 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1161 145.060363769531 5262.61083984375 0.19 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1162 162.07600402832 4448.66784667969 0.16 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1163 168.065170288086 16167.7177734375 0.6 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1164 173.963897705078 26845.693359375 0.99 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1165 186.075775146484 5275.0185546875 0.2 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1166 186.56770324707 2513.05346679688 0.09 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1167 204.122978210449 2704658.19140625 100 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1168 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1169 RECORD_TITLE: MZ:204.1213 | RT:56.8 | grpid:152 | file:NA |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1170 MS$FOCUSED_ION: PRECURSOR_M/Z 204.121345376641 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1171 AC$CHROMATOGRAPHY: RETENTION_TIME 56.7980382 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1172 XCMS groupid (grpid): 152 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1173 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1174 PK$NUM_PEAK: 26 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1175 PK$PEAK: m/z int. rel.int. |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1176 101.024070739746 2549.65844726562 0.09 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1177 103.039485931396 24553.8669433594 0.91 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1178 103.384941101074 28550.306640625 1.06 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1179 109.028610229492 9569.9111328125 0.35 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1180 110.023971557617 2709.85107421875 0.1 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1181 113.250282287598 26210.8046875 0.97 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1182 116.070835113525 52000.734375 1.92 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1183 117.074264526367 58102.080078125 2.15 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1184 124.08716583252 16795.25390625 0.62 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1185 125.880447387695 2691.83837890625 0.1 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1186 126.055076599121 70309.458984375 2.6 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1187 127.039108276367 3200.34375 0.12 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1188 129.07829284668 98631.4765625 3.65 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1189 138.054885864258 117277.533203125 4.34 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1190 144.065483093262 36720.7529296875 1.36 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1191 144.090408325195 25124.802734375 0.93 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1192 144.10181427002 386357.205078125 14.28 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1193 145.037979125977 4413.583984375 0.16 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1194 145.049507141113 1174786.94335938 43.44 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1195 145.060363769531 5262.61083984375 0.19 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1196 162.07600402832 4448.66784667969 0.16 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1197 168.065170288086 16167.7177734375 0.6 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1198 173.963897705078 26845.693359375 0.99 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1199 186.075775146484 5275.0185546875 0.2 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1200 186.56770324707 2513.05346679688 0.09 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1201 204.122978210449 2704658.19140625 100 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1202 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1203 RECORD_TITLE: MZ:207.016 | RT:41.8 | grpid:158 | file:NA |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1204 MS$FOCUSED_ION: PRECURSOR_M/Z 207.015970241864 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1205 AC$CHROMATOGRAPHY: RETENTION_TIME 41.826645 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1206 XCMS groupid (grpid): 158 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1207 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1208 PK$NUM_PEAK: 19 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1209 PK$PEAK: m/z int. rel.int. |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1210 102.055213928223 14664.9248046875 10.68 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1211 104.992233276367 2625.12451171875 1.91 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1212 120.00316619873 3167.53002929688 2.31 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1213 120.065727233887 39810.953125 28.98 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1214 125.714157104492 2278.95581054688 1.66 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1215 125.770439147949 2413.32568359375 1.76 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1216 130.049896240234 9405.2138671875 6.85 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1217 145.133407592773 2169.822265625 1.58 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1218 146.981994628906 18833.076171875 13.71 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1219 147.985076904297 12737.52734375 9.27 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1220 149.018768310547 3681.16088867188 2.68 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1221 169.94026184082 2372.8515625 1.73 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1222 177.024551391602 9060.5927734375 6.6 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1223 189.087188720703 11364.271484375 8.27 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1224 207.014282226562 137352.125 100 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1225 207.034118652344 5699.5263671875 4.15 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1226 207.052230834961 15843.6455078125 11.54 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1227 207.098617553711 2919.48852539062 2.13 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1228 207.174377441406 3961.92211914062 2.88 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1229 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1230 RECORD_TITLE: MZ:207.016 | RT:41.8 | grpid:158 | file:NA |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1231 MS$FOCUSED_ION: PRECURSOR_M/Z 207.015970241864 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1232 AC$CHROMATOGRAPHY: RETENTION_TIME 41.826645 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1233 XCMS groupid (grpid): 158 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1234 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1235 PK$NUM_PEAK: 19 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1236 PK$PEAK: m/z int. rel.int. |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1237 102.055213928223 14664.9248046875 10.68 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1238 104.992233276367 2625.12451171875 1.91 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1239 120.00316619873 3167.53002929688 2.31 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1240 120.065727233887 39810.953125 28.98 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1241 125.714157104492 2278.95581054688 1.66 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1242 125.770439147949 2413.32568359375 1.76 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1243 130.049896240234 9405.2138671875 6.85 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1244 145.133407592773 2169.822265625 1.58 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1245 146.981994628906 18833.076171875 13.71 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1246 147.985076904297 12737.52734375 9.27 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1247 149.018768310547 3681.16088867188 2.68 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1248 169.94026184082 2372.8515625 1.73 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1249 177.024551391602 9060.5927734375 6.6 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1250 189.087188720703 11364.271484375 8.27 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1251 207.014282226562 137352.125 100 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1252 207.034118652344 5699.5263671875 4.15 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1253 207.052230834961 15843.6455078125 11.54 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1254 207.098617553711 2919.48852539062 2.13 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1255 207.174377441406 3961.92211914062 2.88 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1256 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1257 RECORD_TITLE: MZ:214.0624 | RT:55.4 | grpid:172 | file:NA |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1258 MS$FOCUSED_ION: PRECURSOR_M/Z 214.06240374159 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1259 AC$CHROMATOGRAPHY: RETENTION_TIME 55.4140188 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1260 XCMS groupid (grpid): 172 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1261 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1262 PK$NUM_PEAK: 14 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1263 PK$PEAK: m/z int. rel.int. |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1264 100.022003173828 18210.814453125 0.48 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1265 112.021865844727 105520.359375 2.8 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1266 112.029098510742 4534.3564453125 0.12 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1267 127.032608032227 3771385.25 100 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1268 129.048873901367 9994.1298828125 0.26 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1269 137.094848632812 40517.13671875 1.07 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1270 139.032440185547 14027.0390625 0.37 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1271 141.000549316406 32761.166015625 0.87 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1272 141.048263549805 10484.16796875 0.28 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1273 158.02702331543 16497.7265625 0.44 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1274 170.074661254883 55442.0390625 1.47 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1275 197.064270019531 5371.8564453125 0.14 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1276 197.093124389648 3679.029296875 0.1 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1277 214.064468383789 307880.84375 8.16 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1278 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1279 RECORD_TITLE: MZ:214.0624 | RT:55.4 | grpid:172 | file:NA |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1280 MS$FOCUSED_ION: PRECURSOR_M/Z 214.06240374159 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1281 AC$CHROMATOGRAPHY: RETENTION_TIME 55.4140188 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1282 XCMS groupid (grpid): 172 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1283 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1284 PK$NUM_PEAK: 14 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1285 PK$PEAK: m/z int. rel.int. |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1286 100.022003173828 18210.814453125 0.48 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1287 112.021865844727 105520.359375 2.8 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1288 112.029098510742 4534.3564453125 0.12 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1289 127.032608032227 3771385.25 100 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1290 129.048873901367 9994.1298828125 0.26 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1291 137.094848632812 40517.13671875 1.07 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1292 139.032440185547 14027.0390625 0.37 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1293 141.000549316406 32761.166015625 0.87 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1294 141.048263549805 10484.16796875 0.28 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1295 158.02702331543 16497.7265625 0.44 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1296 170.074661254883 55442.0390625 1.47 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1297 197.064270019531 5371.8564453125 0.14 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1298 197.093124389648 3679.029296875 0.1 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1299 214.064468383789 307880.84375 8.16 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1300 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1301 RECORD_TITLE: MZ:218.1384 | RT:89.6 | grpid:180 | file:NA |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1302 MS$FOCUSED_ION: PRECURSOR_M/Z 218.138404003909 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1303 AC$CHROMATOGRAPHY: RETENTION_TIME 89.6403 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1304 XCMS groupid (grpid): 180 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1305 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1306 PK$NUM_PEAK: 3 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1307 PK$PEAK: m/z int. rel.int. |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1308 129.054916381836 3304.31335449219 28.7 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1309 159.066215515137 3238.22875976562 28.13 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1310 218.138671875 11511.6791992188 100 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1311 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1312 RECORD_TITLE: MZ:218.1384 | RT:89.6 | grpid:180 | file:NA |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1313 MS$FOCUSED_ION: PRECURSOR_M/Z 218.138404003909 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1314 AC$CHROMATOGRAPHY: RETENTION_TIME 89.6403 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1315 XCMS groupid (grpid): 180 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1316 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1317 PK$NUM_PEAK: 3 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1318 PK$PEAK: m/z int. rel.int. |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1319 129.054916381836 3304.31335449219 28.7 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1320 159.066215515137 3238.22875976562 28.13 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1321 218.138671875 11511.6791992188 100 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1322 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1323 RECORD_TITLE: MZ:219.1345 | RT:84.2 | grpid:182 | file:NA |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1324 MS$FOCUSED_ION: PRECURSOR_M/Z 219.134537648256 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1325 AC$CHROMATOGRAPHY: RETENTION_TIME 84.215802 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1326 XCMS groupid (grpid): 182 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1327 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1328 PK$NUM_PEAK: 23 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1329 PK$PEAK: m/z int. rel.int. |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1330 105.063270568848 4203.001953125 0.19 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1331 110.096893310547 4522.54443359375 0.21 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1332 112.11270904541 5338.60205078125 0.24 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1333 116.986259460449 5649.759765625 0.26 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1334 117.065921783447 4423.58276367188 0.2 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1335 119.085418701172 4587.7412109375 0.21 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1336 121.101333618164 5698.80517578125 0.26 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1337 126.091411590576 18157.0063476562 0.83 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1338 128.10718536377 111406.86328125 5.09 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1339 132.101951599121 2189822.5 100 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1340 133.101219177246 5414.54345703125 0.25 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1341 155.117767333984 24587.1943359375 1.12 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1342 161.132385253906 6279.27978515625 0.29 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1343 172.096343994141 31113.580078125 1.42 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1344 172.097229003906 28655.04296875 1.31 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1345 173.12841796875 984785.375 44.97 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1346 180.904510498047 3674.49365234375 0.17 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1347 201.123176574707 136627.3984375 6.24 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1348 202.754135131836 3789.76586914062 0.17 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1349 203.142929077148 100537.1796875 4.59 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1350 219.133995056152 205882.671875 9.4 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1351 219.17414855957 312209.53125 14.26 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1352 222.249847412109 3721.74389648438 0.17 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1353 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1354 RECORD_TITLE: MZ:219.1345 | RT:84.2 | grpid:182 | file:NA |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1355 MS$FOCUSED_ION: PRECURSOR_M/Z 219.134537648256 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1356 AC$CHROMATOGRAPHY: RETENTION_TIME 84.215802 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1357 XCMS groupid (grpid): 182 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1358 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1359 PK$NUM_PEAK: 23 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1360 PK$PEAK: m/z int. rel.int. |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1361 105.063270568848 4203.001953125 0.19 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1362 110.096893310547 4522.54443359375 0.21 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1363 112.11270904541 5338.60205078125 0.24 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1364 116.986259460449 5649.759765625 0.26 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1365 117.065921783447 4423.58276367188 0.2 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1366 119.085418701172 4587.7412109375 0.21 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1367 121.101333618164 5698.80517578125 0.26 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1368 126.091411590576 18157.0063476562 0.83 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1369 128.10718536377 111406.86328125 5.09 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1370 132.101951599121 2189822.5 100 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1371 133.101219177246 5414.54345703125 0.25 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1372 155.117767333984 24587.1943359375 1.12 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1373 161.132385253906 6279.27978515625 0.29 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1374 172.096343994141 31113.580078125 1.42 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1375 172.097229003906 28655.04296875 1.31 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1376 173.12841796875 984785.375 44.97 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1377 180.904510498047 3674.49365234375 0.17 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1378 201.123176574707 136627.3984375 6.24 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1379 202.754135131836 3789.76586914062 0.17 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1380 203.142929077148 100537.1796875 4.59 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1381 219.133995056152 205882.671875 9.4 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1382 219.17414855957 312209.53125 14.26 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1383 222.249847412109 3721.74389648438 0.17 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1384 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1385 RECORD_TITLE: MZ:227.1131 | RT:46.9 | grpid:199 | file:NA |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1386 MS$FOCUSED_ION: PRECURSOR_M/Z 227.11306151597 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1387 AC$CHROMATOGRAPHY: RETENTION_TIME 46.926273 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1388 XCMS groupid (grpid): 199 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1389 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1390 PK$NUM_PEAK: 50 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1391 PK$PEAK: m/z int. rel.int. |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1392 109.063594818115 4099.17810058594 0.09 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1393 110.071586608887 4606571.125 100 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1394 111.055355072021 16824.1384277344 0.37 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1395 112.087244033813 31606.4399414062 0.69 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1396 114.961769104004 4038.513671875 0.09 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1397 116.062522888184 5434.8310546875 0.12 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1398 116.070899963379 108820.723754883 2.36 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1399 120.884796142578 3409.80908203125 0.07 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1400 122.071460723877 668040.0546875 14.5 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1401 124.08678817749 5013.32995605469 0.11 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1402 128.031921386719 62183.078125 1.35 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1403 134.071258544922 4929.89697265625 0.11 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1404 136.086967468262 36068.7158203125 0.78 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1405 138.06615447998 43180.4565429688 0.94 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1406 139.050079345703 7219.65087890625 0.16 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1407 139.05094909668 6357.27099609375 0.14 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1408 145.14469909668 3823.6279296875 0.08 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1409 146.07105255127 77607.84375 1.68 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1410 147.054962158203 5208.69189453125 0.11 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1411 148.086982727051 6629.76416015625 0.14 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1412 150.785430908203 5283.994140625 0.11 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1413 152.081787109375 224660.015625 4.88 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1414 153.128067016602 3270.22680664062 0.07 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1415 154.060882568359 5990.9248046875 0.13 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1416 156.076755523682 1901705.28125 41.28 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1417 159.049118041992 4586.6982421875 0.1 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1418 163.965179443359 4605.9501953125 0.1 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1419 164.081802368164 596054.265625 12.94 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1420 164.141479492188 5804.94580078125 0.13 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1421 166.061492919922 7163.70751953125 0.16 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1422 166.096435546875 3583.4150390625 0.08 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1423 166.09748840332 7788.17895507812 0.17 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1424 178.063537597656 5560.33203125 0.12 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1425 180.076679229736 171533.73828125 3.72 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1426 181.108413696289 421327.8359375 9.15 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1427 182.090789794922 6439.70166015625 0.14 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1428 182.092300415039 18926.6875 0.41 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1429 185.092224121094 28311.791015625 0.61 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1430 185.227569580078 5673.0751953125 0.12 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1431 192.076854705811 105337.634765625 2.29 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1432 198.087059020996 60026.3125 1.3 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1433 198.102767944336 5951.31640625 0.13 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1434 198.869476318359 3270.02294921875 0.07 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1435 209.103118896484 71219.1015625 1.55 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1436 209.104988098145 47095.048828125 1.02 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1437 210.0871925354 787180.640625 17.09 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1438 224.923370361328 3780.64306640625 0.08 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1439 227.097503662109 23334.078125 0.51 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1440 227.113609313965 227937.2578125 4.95 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1441 227.117202758789 127066.21484375 2.76 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1442 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1443 RECORD_TITLE: MZ:227.1131 | RT:46.9 | grpid:199 | file:NA |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1444 MS$FOCUSED_ION: PRECURSOR_M/Z 227.11306151597 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1445 AC$CHROMATOGRAPHY: RETENTION_TIME 46.926273 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1446 XCMS groupid (grpid): 199 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1447 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1448 PK$NUM_PEAK: 50 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1449 PK$PEAK: m/z int. rel.int. |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1450 109.063594818115 4099.17810058594 0.09 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1451 110.071586608887 4606571.125 100 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1452 111.055355072021 16824.1384277344 0.37 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1453 112.087244033813 31606.4399414062 0.69 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1454 114.961769104004 4038.513671875 0.09 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1455 116.062522888184 5434.8310546875 0.12 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1456 116.070899963379 108820.723754883 2.36 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1457 120.884796142578 3409.80908203125 0.07 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1458 122.071460723877 668040.0546875 14.5 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1459 124.08678817749 5013.32995605469 0.11 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1460 128.031921386719 62183.078125 1.35 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1461 134.071258544922 4929.89697265625 0.11 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1462 136.086967468262 36068.7158203125 0.78 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1463 138.06615447998 43180.4565429688 0.94 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1464 139.050079345703 7219.65087890625 0.16 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1465 139.05094909668 6357.27099609375 0.14 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1466 145.14469909668 3823.6279296875 0.08 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1467 146.07105255127 77607.84375 1.68 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1468 147.054962158203 5208.69189453125 0.11 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1469 148.086982727051 6629.76416015625 0.14 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1470 150.785430908203 5283.994140625 0.11 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1471 152.081787109375 224660.015625 4.88 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1472 153.128067016602 3270.22680664062 0.07 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1473 154.060882568359 5990.9248046875 0.13 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1474 156.076755523682 1901705.28125 41.28 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1475 159.049118041992 4586.6982421875 0.1 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1476 163.965179443359 4605.9501953125 0.1 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1477 164.081802368164 596054.265625 12.94 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1478 164.141479492188 5804.94580078125 0.13 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1479 166.061492919922 7163.70751953125 0.16 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1480 166.096435546875 3583.4150390625 0.08 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1481 166.09748840332 7788.17895507812 0.17 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1482 178.063537597656 5560.33203125 0.12 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1483 180.076679229736 171533.73828125 3.72 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1484 181.108413696289 421327.8359375 9.15 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1485 182.090789794922 6439.70166015625 0.14 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1486 182.092300415039 18926.6875 0.41 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1487 185.092224121094 28311.791015625 0.61 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1488 185.227569580078 5673.0751953125 0.12 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1489 192.076854705811 105337.634765625 2.29 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1490 198.087059020996 60026.3125 1.3 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1491 198.102767944336 5951.31640625 0.13 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1492 198.869476318359 3270.02294921875 0.07 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1493 209.103118896484 71219.1015625 1.55 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1494 209.104988098145 47095.048828125 1.02 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1495 210.0871925354 787180.640625 17.09 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1496 224.923370361328 3780.64306640625 0.08 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1497 227.097503662109 23334.078125 0.51 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1498 227.113609313965 227937.2578125 4.95 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1499 227.117202758789 127066.21484375 2.76 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1500 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1501 RECORD_TITLE: MZ:229.1544 | RT:110.4 | grpid:205 | file:NA |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1502 MS$FOCUSED_ION: PRECURSOR_M/Z 229.154447166191 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1503 AC$CHROMATOGRAPHY: RETENTION_TIME 110.36505 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1504 XCMS groupid (grpid): 205 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1505 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1506 PK$NUM_PEAK: 12 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1507 PK$PEAK: m/z int. rel.int. |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1508 114.05523109436 66915.3701171875 5.81 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1509 114.091661453247 33961.0014648438 2.95 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1510 116.070810317993 22184.2001953125 1.93 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1511 118.086498260498 101098.829101562 8.78 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1512 124.075803756714 91827.01171875 7.98 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1513 126.091516494751 15682.7749023438 1.36 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1514 138.09118270874 16932.7791748047 1.47 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1515 142.086242675781 627497.8125 54.52 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1516 155.118011474609 11454.3654785156 1 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1517 170.080986022949 42620.857421875 3.7 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1518 183.112724304199 127935.296875 11.12 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1519 229.154579162598 1150887.0625 100 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1520 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1521 RECORD_TITLE: MZ:229.1544 | RT:110.4 | grpid:205 | file:NA |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1522 MS$FOCUSED_ION: PRECURSOR_M/Z 229.154447166191 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1523 AC$CHROMATOGRAPHY: RETENTION_TIME 110.36505 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1524 XCMS groupid (grpid): 205 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1525 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1526 PK$NUM_PEAK: 12 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1527 PK$PEAK: m/z int. rel.int. |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1528 114.05523109436 66915.3701171875 5.81 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1529 114.091661453247 33961.0014648438 2.95 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1530 116.070810317993 22184.2001953125 1.93 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1531 118.086498260498 101098.829101562 8.78 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1532 124.075803756714 91827.01171875 7.98 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1533 126.091516494751 15682.7749023438 1.36 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1534 138.09118270874 16932.7791748047 1.47 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1535 142.086242675781 627497.8125 54.52 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1536 155.118011474609 11454.3654785156 1 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1537 170.080986022949 42620.857421875 3.7 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1538 183.112724304199 127935.296875 11.12 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1539 229.154579162598 1150887.0625 100 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1540 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1541 RECORD_TITLE: MZ:230.1402 | RT:116.8 | grpid:206 | file:NA |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1542 MS$FOCUSED_ION: PRECURSOR_M/Z 230.140207062093 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1543 AC$CHROMATOGRAPHY: RETENTION_TIME 116.806434 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1544 XCMS groupid (grpid): 206 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1545 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1546 PK$NUM_PEAK: 29 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1547 PK$PEAK: m/z int. rel.int. |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1548 100.23999786377 2375.47680664062 3.65 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1549 103.442092895508 2566.20703125 3.94 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1550 118.637107849121 2638.11669921875 4.05 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1551 133.330627441406 2652.22534179688 4.07 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1552 134.948608398438 2629.12426757812 4.04 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1553 139.023971557617 2837.33520507812 4.36 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1554 144.102348327637 9560.11743164062 14.68 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1555 154.53678894043 2769.9482421875 4.25 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1556 155.723358154297 2731.0634765625 4.19 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1557 157.907409667969 2933.0439453125 4.5 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1558 166.047752380371 12590.408203125 19.33 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1559 167.984619140625 2446.177734375 3.76 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1560 170.596984863281 2782.6201171875 4.27 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1561 170.705688476562 2597.7197265625 3.99 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1562 171.065044403076 50429.2275390625 77.43 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1563 175.505096435547 2865.88891601562 4.4 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1564 175.522003173828 2354.20971679688 3.61 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1565 184.334548950195 2978.513671875 4.57 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1566 198.879165649414 3006.13061523438 4.62 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1567 199.904586791992 2728.13745117188 4.19 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1568 204.917419433594 2715.51708984375 4.17 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1569 224.660781860352 2611.29052734375 4.01 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1570 230.046417236328 4664.95068359375 7.16 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1571 230.048034667969 3023.58984375 4.64 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1572 230.074829101562 3314.45288085938 5.09 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1573 230.138221740723 65130.369140625 100 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1574 230.155090332031 8631.9453125 13.25 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1575 230.157638549805 8235.0732421875 12.64 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1576 252.623626708984 2589.5390625 3.98 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1577 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1578 RECORD_TITLE: MZ:230.1402 | RT:116.8 | grpid:206 | file:NA |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1579 MS$FOCUSED_ION: PRECURSOR_M/Z 230.140207062093 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1580 AC$CHROMATOGRAPHY: RETENTION_TIME 116.806434 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1581 XCMS groupid (grpid): 206 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1582 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1583 PK$NUM_PEAK: 29 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1584 PK$PEAK: m/z int. rel.int. |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1585 100.23999786377 2375.47680664062 3.65 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1586 103.442092895508 2566.20703125 3.94 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1587 118.637107849121 2638.11669921875 4.05 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1588 133.330627441406 2652.22534179688 4.07 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1589 134.948608398438 2629.12426757812 4.04 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1590 139.023971557617 2837.33520507812 4.36 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1591 144.102348327637 9560.11743164062 14.68 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1592 154.53678894043 2769.9482421875 4.25 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1593 155.723358154297 2731.0634765625 4.19 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1594 157.907409667969 2933.0439453125 4.5 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1595 166.047752380371 12590.408203125 19.33 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1596 167.984619140625 2446.177734375 3.76 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1597 170.596984863281 2782.6201171875 4.27 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1598 170.705688476562 2597.7197265625 3.99 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1599 171.065044403076 50429.2275390625 77.43 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1600 175.505096435547 2865.88891601562 4.4 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1601 175.522003173828 2354.20971679688 3.61 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1602 184.334548950195 2978.513671875 4.57 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1603 198.879165649414 3006.13061523438 4.62 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1604 199.904586791992 2728.13745117188 4.19 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1605 204.917419433594 2715.51708984375 4.17 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1606 224.660781860352 2611.29052734375 4.01 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1607 230.046417236328 4664.95068359375 7.16 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1608 230.048034667969 3023.58984375 4.64 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1609 230.074829101562 3314.45288085938 5.09 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1610 230.138221740723 65130.369140625 100 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1611 230.155090332031 8631.9453125 13.25 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1612 230.157638549805 8235.0732421875 12.64 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1613 252.623626708984 2589.5390625 3.98 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1614 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1615 RECORD_TITLE: MZ:231.1694 | RT:130.8 | grpid:209 | file:NA |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1616 MS$FOCUSED_ION: PRECURSOR_M/Z 231.169440223829 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1617 AC$CHROMATOGRAPHY: RETENTION_TIME 130.794318 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1618 XCMS groupid (grpid): 209 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1619 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1620 PK$NUM_PEAK: 10 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1621 PK$PEAK: m/z int. rel.int. |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1622 111.466903686523 3197.19702148438 12.37 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1623 116.07112121582 3271.9736328125 12.66 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1624 116.427024841309 2544.30590820312 9.85 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1625 118.086345672607 25840.970703125 100 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1626 132.357925415039 2541.77392578125 9.84 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1627 134.190277099609 2779.22607421875 10.76 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1628 179.655456542969 2593.84716796875 10.04 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1629 185.16487121582 8175.68310546875 31.64 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1630 231.170913696289 13019.9536132812 50.38 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1631 242.216293334961 3109.39599609375 12.03 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1632 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1633 RECORD_TITLE: MZ:231.1694 | RT:130.8 | grpid:209 | file:NA |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1634 MS$FOCUSED_ION: PRECURSOR_M/Z 231.169440223829 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1635 AC$CHROMATOGRAPHY: RETENTION_TIME 130.794318 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1636 XCMS groupid (grpid): 209 |
|
ca0ac330f1a4
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_inter' msPurity version:1.11.0 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1638 PK$NUM_PEAK: 10 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1639 PK$PEAK: m/z int. rel.int. |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1640 111.466903686523 3197.19702148438 12.37 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1641 116.07112121582 3271.9736328125 12.66 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1642 116.427024841309 2544.30590820312 9.85 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1643 118.086345672607 25840.970703125 100 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1644 132.357925415039 2541.77392578125 9.84 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1645 134.190277099609 2779.22607421875 10.76 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1646 179.655456542969 2593.84716796875 10.04 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1647 185.16487121582 8175.68310546875 31.64 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1648 231.170913696289 13019.9536132812 50.38 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1649 242.216293334961 3109.39599609375 12.03 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1650 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1651 RECORD_TITLE: MZ:233.1492 | RT:66.7 | grpid:214 | file:NA |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1652 MS$FOCUSED_ION: PRECURSOR_M/Z 233.149205713464 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1653 AC$CHROMATOGRAPHY: RETENTION_TIME 66.710418 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1654 XCMS groupid (grpid): 214 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1655 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1656 PK$NUM_PEAK: 10 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1657 PK$PEAK: m/z int. rel.int. |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1658 101.071445465088 51549.6220703125 22.45 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1659 102.055372238159 59090.75 25.73 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1660 120.065715789795 229656.7109375 100 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1661 130.04984664917 47252.4462890625 20.58 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1662 132.101989746094 29734.6357421875 12.95 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1663 142.122745513916 19527.9644775391 8.5 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1664 152.106994628906 4649.77038574219 2.02 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1665 187.144111633301 99860.6418457031 43.48 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1666 215.139053344727 44730.51171875 19.48 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1667 233.149715423584 36734.1889648438 16 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1668 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1669 RECORD_TITLE: MZ:233.1492 | RT:66.7 | grpid:214 | file:NA |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1670 MS$FOCUSED_ION: PRECURSOR_M/Z 233.149205713464 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1671 AC$CHROMATOGRAPHY: RETENTION_TIME 66.710418 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1672 XCMS groupid (grpid): 214 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1673 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1674 PK$NUM_PEAK: 10 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1675 PK$PEAK: m/z int. rel.int. |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1676 101.071445465088 51549.6220703125 22.45 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1677 102.055372238159 59090.75 25.73 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1678 120.065715789795 229656.7109375 100 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1679 130.04984664917 47252.4462890625 20.58 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1680 132.101989746094 29734.6357421875 12.95 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1681 142.122745513916 19527.9644775391 8.5 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1682 152.106994628906 4649.77038574219 2.02 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1683 187.144111633301 99860.6418457031 43.48 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1684 215.139053344727 44730.51171875 19.48 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1685 233.149715423584 36734.1889648438 16 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1686 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1687 RECORD_TITLE: MZ:244.9534 | RT:41 | grpid:234 | file:NA |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1688 MS$FOCUSED_ION: PRECURSOR_M/Z 244.953385254716 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1689 AC$CHROMATOGRAPHY: RETENTION_TIME 40.9547952 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1690 XCMS groupid (grpid): 234 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1691 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1692 PK$NUM_PEAK: 13 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1693 PK$PEAK: m/z int. rel.int. |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1694 104.992706298828 378396.8125 100 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1695 104.999923706055 7185.41552734375 1.9 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1696 134.019111633301 14298.7292480469 3.78 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1697 146.019165039062 4753.09130859375 1.26 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1698 162.950744628906 3319.13793945312 0.88 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1699 164.879348754883 2862.37036132812 0.76 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1700 171.35090637207 2969.00439453125 0.78 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1701 183.394256591797 2706.86157226562 0.72 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1702 186.895538330078 3287.81958007812 0.87 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1703 186.912002563477 72985.9140625 19.29 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1704 186.995803833008 4622.62060546875 1.22 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1705 204.922698974609 55473.91796875 14.66 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1706 216.667694091797 2451.92456054688 0.65 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1707 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1708 RECORD_TITLE: MZ:244.9534 | RT:41 | grpid:234 | file:NA |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1709 MS$FOCUSED_ION: PRECURSOR_M/Z 244.953385254716 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1710 AC$CHROMATOGRAPHY: RETENTION_TIME 40.9547952 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1711 XCMS groupid (grpid): 234 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1712 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1713 PK$NUM_PEAK: 13 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1714 PK$PEAK: m/z int. rel.int. |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1715 104.992706298828 378396.8125 100 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1716 104.999923706055 7185.41552734375 1.9 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1717 134.019111633301 14298.7292480469 3.78 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1718 146.019165039062 4753.09130859375 1.26 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1719 162.950744628906 3319.13793945312 0.88 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1720 164.879348754883 2862.37036132812 0.76 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1721 171.35090637207 2969.00439453125 0.78 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1722 183.394256591797 2706.86157226562 0.72 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1723 186.895538330078 3287.81958007812 0.87 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1724 186.912002563477 72985.9140625 19.29 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1725 186.995803833008 4622.62060546875 1.22 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1726 204.922698974609 55473.91796875 14.66 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1727 216.667694091797 2451.92456054688 0.65 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1728 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1729 RECORD_TITLE: MZ:245.0766 | RT:83.4 | grpid:235 | file:NA |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1730 MS$FOCUSED_ION: PRECURSOR_M/Z 245.07657810262 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1731 AC$CHROMATOGRAPHY: RETENTION_TIME 83.441172 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1732 XCMS groupid (grpid): 235 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1733 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1734 PK$NUM_PEAK: 12 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1735 PK$PEAK: m/z int. rel.int. |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1736 102.847290039062 7233.47998046875 0.35 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1737 103.039363861084 10410.1005859375 0.51 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1738 113.034893035889 2059466.625 100 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1739 115.039226531982 50216.791015625 2.44 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1740 127.821929931641 6439.4697265625 0.31 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1741 133.049758911133 65999.25390625 3.2 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1742 137.333404541016 5343.7626953125 0.26 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1743 149.172576904297 5415.865234375 0.26 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1744 158.082015991211 5685.69775390625 0.28 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1745 183.691345214844 6732.88623046875 0.33 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1746 245.16056060791 18422.296875 0.89 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1747 269.657653808594 5373.13623046875 0.26 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1748 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1749 RECORD_TITLE: MZ:245.0766 | RT:83.4 | grpid:235 | file:NA |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1750 MS$FOCUSED_ION: PRECURSOR_M/Z 245.07657810262 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1751 AC$CHROMATOGRAPHY: RETENTION_TIME 83.441172 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1752 XCMS groupid (grpid): 235 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1753 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1754 PK$NUM_PEAK: 12 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1755 PK$PEAK: m/z int. rel.int. |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1756 102.847290039062 7233.47998046875 0.35 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1757 103.039363861084 10410.1005859375 0.51 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1758 113.034893035889 2059466.625 100 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1759 115.039226531982 50216.791015625 2.44 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1760 127.821929931641 6439.4697265625 0.31 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1761 133.049758911133 65999.25390625 3.2 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1762 137.333404541016 5343.7626953125 0.26 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1763 149.172576904297 5415.865234375 0.26 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1764 158.082015991211 5685.69775390625 0.28 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1765 183.691345214844 6732.88623046875 0.33 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1766 245.16056060791 18422.296875 0.89 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1767 269.657653808594 5373.13623046875 0.26 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1768 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1769 RECORD_TITLE: MZ:246.1449 | RT:56 | grpid:238 | file:NA |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1770 MS$FOCUSED_ION: PRECURSOR_M/Z 246.144917517526 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1771 AC$CHROMATOGRAPHY: RETENTION_TIME 56.048412 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1772 XCMS groupid (grpid): 238 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1773 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1774 PK$NUM_PEAK: 53 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1775 PK$PEAK: m/z int. rel.int. |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1776 100.075996398926 13907.2685546875 1.41 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1777 101.071376800537 78530.54296875 7.97 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1778 101.107837677002 13021.5205078125 1.32 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1779 102.055397033691 10497.6481933594 1.06 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1780 105.111312866211 3550.4013671875 0.36 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1781 111.054954528809 3121.79370117188 0.32 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1782 111.055686950684 4715.681640625 0.48 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1783 112.087310791016 33766.8388671875 3.43 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1784 116.070816040039 5874.92333984375 0.6 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1785 117.074378967285 4742.4384765625 0.48 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1786 117.102447509766 34718.7734375 3.52 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1787 118.086410522461 60193.091796875 6.11 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1788 127.533218383789 3126.70092773438 0.32 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1789 129.102493286133 114568.01953125 11.62 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1790 129.113304138184 16345.7446289062 1.66 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1791 130.049964904785 912668.53125 92.58 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1792 130.08634185791 160788.3125 16.31 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1793 130.096298217773 5541.70068359375 0.56 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1794 137.720031738281 2940.19921875 0.3 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1795 138.091659545898 3917.65002441406 0.4 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1796 138.102615356445 11640.97265625 1.18 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1797 144.558670043945 3019.34936523438 0.31 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1798 147.076385498047 985817.1875 100 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1799 147.112739562988 188613.15625 19.13 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1800 156.300552368164 3563.12890625 0.36 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1801 158.09228515625 3452.87084960938 0.35 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1802 162.474563598633 2948.10424804688 0.3 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1803 171.07585144043 4631.97448730469 0.47 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1804 172.887664794922 3349.94604492188 0.34 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1805 173.957077026367 3202.59350585938 0.32 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1806 175.118850708008 4633.72509765625 0.47 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1807 175.700073242188 2696.47802734375 0.27 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1808 177.550689697266 3003.36254882812 0.3 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1809 182.128219604492 12645.0830078125 1.28 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1810 183.112503051758 32286.9091796875 3.28 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1811 184.344192504883 2776.12524414062 0.28 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1812 190.794464111328 3111.716796875 0.32 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1813 194.080947875977 3669.88256835938 0.37 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1814 196.987716674805 2927.38989257812 0.3 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1815 200.047790527344 22924.576171875 2.33 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1816 200.048919677734 17289.095703125 1.75 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1817 211.107360839844 5091.181640625 0.52 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1818 211.143585205078 4624.5439453125 0.47 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1819 214.018432617188 2903.59130859375 0.29 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1820 228.13404083252 31948.7939453125 3.24 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1821 228.170013427734 5492.08544921875 0.56 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1822 229.11824798584 28573.6005859375 2.9 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1823 229.15406036377 6615.69458007812 0.67 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1824 246.055038452148 17687.0541992188 1.79 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1825 246.142807006836 36884.310546875 3.74 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1826 246.180618286133 44683.25 4.53 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1827 246.202621459961 5074.580078125 0.51 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1828 262.875 3137.12841796875 0.32 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1829 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1830 RECORD_TITLE: MZ:246.1449 | RT:56 | grpid:238 | file:NA |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1831 MS$FOCUSED_ION: PRECURSOR_M/Z 246.144917517526 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1832 AC$CHROMATOGRAPHY: RETENTION_TIME 56.048412 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1833 XCMS groupid (grpid): 238 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1834 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1835 PK$NUM_PEAK: 53 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1836 PK$PEAK: m/z int. rel.int. |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1837 100.075996398926 13907.2685546875 1.41 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1838 101.071376800537 78530.54296875 7.97 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1839 101.107837677002 13021.5205078125 1.32 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1840 102.055397033691 10497.6481933594 1.06 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1841 105.111312866211 3550.4013671875 0.36 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1842 111.054954528809 3121.79370117188 0.32 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1843 111.055686950684 4715.681640625 0.48 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1844 112.087310791016 33766.8388671875 3.43 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1845 116.070816040039 5874.92333984375 0.6 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1846 117.074378967285 4742.4384765625 0.48 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1847 117.102447509766 34718.7734375 3.52 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1848 118.086410522461 60193.091796875 6.11 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1849 127.533218383789 3126.70092773438 0.32 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1850 129.102493286133 114568.01953125 11.62 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1851 129.113304138184 16345.7446289062 1.66 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1852 130.049964904785 912668.53125 92.58 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1853 130.08634185791 160788.3125 16.31 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1854 130.096298217773 5541.70068359375 0.56 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1855 137.720031738281 2940.19921875 0.3 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1856 138.091659545898 3917.65002441406 0.4 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1857 138.102615356445 11640.97265625 1.18 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1858 144.558670043945 3019.34936523438 0.31 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1859 147.076385498047 985817.1875 100 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1860 147.112739562988 188613.15625 19.13 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1861 156.300552368164 3563.12890625 0.36 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1862 158.09228515625 3452.87084960938 0.35 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1863 162.474563598633 2948.10424804688 0.3 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1864 171.07585144043 4631.97448730469 0.47 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1865 172.887664794922 3349.94604492188 0.34 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1866 173.957077026367 3202.59350585938 0.32 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1867 175.118850708008 4633.72509765625 0.47 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1868 175.700073242188 2696.47802734375 0.27 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1869 177.550689697266 3003.36254882812 0.3 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1870 182.128219604492 12645.0830078125 1.28 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1871 183.112503051758 32286.9091796875 3.28 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1872 184.344192504883 2776.12524414062 0.28 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1873 190.794464111328 3111.716796875 0.32 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1874 194.080947875977 3669.88256835938 0.37 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1875 196.987716674805 2927.38989257812 0.3 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1876 200.047790527344 22924.576171875 2.33 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1877 200.048919677734 17289.095703125 1.75 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1878 211.107360839844 5091.181640625 0.52 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1879 211.143585205078 4624.5439453125 0.47 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1880 214.018432617188 2903.59130859375 0.29 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1881 228.13404083252 31948.7939453125 3.24 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1882 228.170013427734 5492.08544921875 0.56 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1883 229.11824798584 28573.6005859375 2.9 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1884 229.15406036377 6615.69458007812 0.67 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1885 246.055038452148 17687.0541992188 1.79 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1886 246.142807006836 36884.310546875 3.74 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1887 246.180618286133 44683.25 4.53 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1888 246.202621459961 5074.580078125 0.51 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1889 262.875 3137.12841796875 0.32 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1890 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1891 RECORD_TITLE: MZ:247.1285 | RT:62.9 | grpid:241 | file:NA |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1892 MS$FOCUSED_ION: PRECURSOR_M/Z 247.12854349772 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1893 AC$CHROMATOGRAPHY: RETENTION_TIME 62.924034 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1894 XCMS groupid (grpid): 241 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1895 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1896 PK$NUM_PEAK: 5 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1897 PK$PEAK: m/z int. rel.int. |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1898 138.091659545898 13378.8500976562 19.75 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1899 155.117858886719 15192.2561035156 22.42 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1900 183.112731933594 67754.4091796875 100 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1901 229.118698120117 15290.9594726562 22.57 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1902 247.128921508789 19688.0512695312 29.06 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1903 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1904 RECORD_TITLE: MZ:247.1285 | RT:62.9 | grpid:241 | file:NA |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1905 MS$FOCUSED_ION: PRECURSOR_M/Z 247.12854349772 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1906 AC$CHROMATOGRAPHY: RETENTION_TIME 62.924034 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1907 XCMS groupid (grpid): 241 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1908 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1909 PK$NUM_PEAK: 5 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1910 PK$PEAK: m/z int. rel.int. |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1911 138.091659545898 13378.8500976562 19.75 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1912 155.117858886719 15192.2561035156 22.42 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1913 183.112731933594 67754.4091796875 100 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1914 229.118698120117 15290.9594726562 22.57 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1915 247.128921508789 19688.0512695312 29.06 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1916 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1917 RECORD_TITLE: MZ:249.0948 | RT:43.9 | grpid:246 | file:NA |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1918 MS$FOCUSED_ION: PRECURSOR_M/Z 249.094795122248 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1919 AC$CHROMATOGRAPHY: RETENTION_TIME 43.9150368 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1920 XCMS groupid (grpid): 246 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1921 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1922 PK$NUM_PEAK: 35 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1923 PK$PEAK: m/z int. rel.int. |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1924 100.417434692383 3012.53979492188 0.28 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1925 102.05534362793 5758.3828125 0.54 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1926 110.071601867676 46123.9765625 4.3 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1927 112.037220001221 1072468.03125 100 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1928 112.310897827148 3575.49780273438 0.33 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1929 120.003299713135 5156.8876953125 0.48 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1930 120.065299987793 4691.2216796875 0.44 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1931 120.065902709961 10654.81640625 0.99 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1932 125.015129089355 3768.94604492188 0.35 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1933 130.047882080078 4939.74560546875 0.46 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1934 130.049179077148 4996.4912109375 0.47 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1935 132.053268432617 139582.8203125 13.02 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1936 133.037254333496 29048.3193359375 2.71 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1937 134.018768310547 11701.443359375 1.09 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1938 147.712509155273 3520.52807617188 0.33 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1939 153.063293457031 12238.2700195312 1.14 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1940 155.546905517578 4072.21923828125 0.38 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1941 157.506332397461 3476.060546875 0.32 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1942 160.048057556152 194049.171875 18.09 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1943 173.029731750488 18022.41015625 1.68 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1944 177.075286865234 3303.73095703125 0.31 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1945 178.058631896973 344922.0625 32.16 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1946 180.905288696289 3644.25463867188 0.34 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1947 187.095680236816 9869.19897460938 0.92 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1948 191.040191650391 216094.0078125 20.15 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1949 191.058059692383 6976.28173828125 0.65 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1950 191.076469421387 70589.7421875 6.58 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1951 193.122329711914 6411.677734375 0.6 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1952 196.547912597656 3137.29174804688 0.29 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1953 201.074180603027 7072.25317382812 0.66 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1954 203.089859008789 23535.162109375 2.19 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1955 203.09098815918 35861.9765625 3.34 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1956 232.069046020508 176954.0859375 16.5 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1957 249.095626831055 776862.5 72.44 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1958 256.981597900391 3960.87768554688 0.37 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1959 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1960 RECORD_TITLE: MZ:249.0948 | RT:43.9 | grpid:246 | file:NA |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1961 MS$FOCUSED_ION: PRECURSOR_M/Z 249.094795122248 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1962 AC$CHROMATOGRAPHY: RETENTION_TIME 43.9150368 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1963 XCMS groupid (grpid): 246 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1964 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1965 PK$NUM_PEAK: 35 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1966 PK$PEAK: m/z int. rel.int. |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1967 100.417434692383 3012.53979492188 0.28 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1968 102.05534362793 5758.3828125 0.54 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1969 110.071601867676 46123.9765625 4.3 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1970 112.037220001221 1072468.03125 100 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1971 112.310897827148 3575.49780273438 0.33 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1972 120.003299713135 5156.8876953125 0.48 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1973 120.065299987793 4691.2216796875 0.44 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1974 120.065902709961 10654.81640625 0.99 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1975 125.015129089355 3768.94604492188 0.35 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1976 130.047882080078 4939.74560546875 0.46 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1977 130.049179077148 4996.4912109375 0.47 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1978 132.053268432617 139582.8203125 13.02 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1979 133.037254333496 29048.3193359375 2.71 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1980 134.018768310547 11701.443359375 1.09 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1981 147.712509155273 3520.52807617188 0.33 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1982 153.063293457031 12238.2700195312 1.14 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1983 155.546905517578 4072.21923828125 0.38 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1984 157.506332397461 3476.060546875 0.32 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1985 160.048057556152 194049.171875 18.09 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1986 173.029731750488 18022.41015625 1.68 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1987 177.075286865234 3303.73095703125 0.31 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1988 178.058631896973 344922.0625 32.16 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1989 180.905288696289 3644.25463867188 0.34 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1990 187.095680236816 9869.19897460938 0.92 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1991 191.040191650391 216094.0078125 20.15 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1992 191.058059692383 6976.28173828125 0.65 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1993 191.076469421387 70589.7421875 6.58 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1994 193.122329711914 6411.677734375 0.6 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1995 196.547912597656 3137.29174804688 0.29 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1996 201.074180603027 7072.25317382812 0.66 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1997 203.089859008789 23535.162109375 2.19 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1998 203.09098815918 35861.9765625 3.34 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
1999 232.069046020508 176954.0859375 16.5 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2000 249.095626831055 776862.5 72.44 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2001 256.981597900391 3960.87768554688 0.37 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2002 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2003 RECORD_TITLE: MZ:253.152 | RT:130.8 | grpid:254 | file:NA |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2004 MS$FOCUSED_ION: PRECURSOR_M/Z 253.152010413701 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2005 AC$CHROMATOGRAPHY: RETENTION_TIME 130.794318 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2006 XCMS groupid (grpid): 254 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2007 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2008 PK$NUM_PEAK: 18 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2009 PK$PEAK: m/z int. rel.int. |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2010 107.091743469238 2954.37670898438 3.72 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2011 107.339874267578 2320.88403320312 2.92 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2012 110.071685791016 35854.03515625 45.17 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2013 115.528038024902 2485.31811523438 3.13 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2014 120.081520080566 3132.15551757812 3.95 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2015 124.155448913574 2436.33129882812 3.07 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2016 140.068023681641 35309.353515625 44.49 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2017 141.054458618164 2880.50244140625 3.63 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2018 153.270446777344 2888.85546875 3.64 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2019 154.083778381348 21452.6298828125 27.03 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2020 156.076873779297 3850.58935546875 4.85 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2021 157.152938842773 2905.64404296875 3.66 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2022 169.125030517578 2750.21606445312 3.46 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2023 193.291427612305 2772.30908203125 3.49 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2024 200.121810913086 2855.59790039062 3.6 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2025 212.793746948242 3007.59448242188 3.79 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2026 235.118865966797 4881.416015625 6.15 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2027 253.152229309082 79373.50390625 100 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2028 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2029 RECORD_TITLE: MZ:253.152 | RT:130.8 | grpid:254 | file:NA |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2030 MS$FOCUSED_ION: PRECURSOR_M/Z 253.152010413701 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2031 AC$CHROMATOGRAPHY: RETENTION_TIME 130.794318 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2032 XCMS groupid (grpid): 254 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2033 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2034 PK$NUM_PEAK: 18 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2035 PK$PEAK: m/z int. rel.int. |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2036 107.091743469238 2954.37670898438 3.72 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2037 107.339874267578 2320.88403320312 2.92 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2038 110.071685791016 35854.03515625 45.17 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2039 115.528038024902 2485.31811523438 3.13 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2040 120.081520080566 3132.15551757812 3.95 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2041 124.155448913574 2436.33129882812 3.07 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2042 140.068023681641 35309.353515625 44.49 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2043 141.054458618164 2880.50244140625 3.63 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2044 153.270446777344 2888.85546875 3.64 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2045 154.083778381348 21452.6298828125 27.03 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2046 156.076873779297 3850.58935546875 4.85 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2047 157.152938842773 2905.64404296875 3.66 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2048 169.125030517578 2750.21606445312 3.46 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2049 193.291427612305 2772.30908203125 3.49 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2050 200.121810913086 2855.59790039062 3.6 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2051 212.793746948242 3007.59448242188 3.79 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2052 235.118865966797 4881.416015625 6.15 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2053 253.152229309082 79373.50390625 100 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2054 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2055 RECORD_TITLE: MZ:260.16 | RT:64.4 | grpid:268 | file:NA |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2056 MS$FOCUSED_ION: PRECURSOR_M/Z 260.159953818855 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2057 AC$CHROMATOGRAPHY: RETENTION_TIME 64.427298 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2058 XCMS groupid (grpid): 268 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2059 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2060 PK$NUM_PEAK: 23 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2061 PK$PEAK: m/z int. rel.int. |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2062 101.071380615234 114815.37109375 23.87 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2063 101.107915878296 11081.80859375 2.3 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2064 102.055484771729 26084.1904296875 5.42 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2065 129.065994262695 75669.8544921875 15.73 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2066 129.102333068848 46826.5439453125 9.73 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2067 130.049961090088 438167.596679688 91.09 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2068 130.086395263672 37188.6362304688 7.73 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2069 131.118072509766 62715.0307617188 13.04 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2070 132.101974487305 132446.850585938 27.53 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2071 143.117904663086 98170.537109375 20.41 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2072 147.076370239258 481020.254882812 100 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2073 147.112670898438 45135.3701171875 9.38 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2074 157.133472442627 57942.240234375 12.05 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2075 171.076461791992 5268.70166015625 1.1 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2076 171.112846374512 20033.158203125 4.16 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2077 185.128776550293 19734.0703125 4.1 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2078 196.144348144531 224106.953125 46.59 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2079 197.128398895264 78605.6645507812 16.34 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2080 225.123069763184 17221.3359375 3.58 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2081 242.149703979492 437216.94140625 90.89 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2082 243.13374710083 59472.890625 12.36 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2083 260.160194396973 87506.4096679688 18.19 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2084 260.196388244629 21219.4587402344 4.41 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2085 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2086 RECORD_TITLE: MZ:260.16 | RT:64.4 | grpid:268 | file:NA |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2087 MS$FOCUSED_ION: PRECURSOR_M/Z 260.159953818855 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2088 AC$CHROMATOGRAPHY: RETENTION_TIME 64.427298 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2089 XCMS groupid (grpid): 268 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2090 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2091 PK$NUM_PEAK: 23 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2092 PK$PEAK: m/z int. rel.int. |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2093 101.071380615234 114815.37109375 23.87 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2094 101.107915878296 11081.80859375 2.3 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2095 102.055484771729 26084.1904296875 5.42 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2096 129.065994262695 75669.8544921875 15.73 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2097 129.102333068848 46826.5439453125 9.73 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2098 130.049961090088 438167.596679688 91.09 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2099 130.086395263672 37188.6362304688 7.73 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2100 131.118072509766 62715.0307617188 13.04 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2101 132.101974487305 132446.850585938 27.53 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2102 143.117904663086 98170.537109375 20.41 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2103 147.076370239258 481020.254882812 100 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2104 147.112670898438 45135.3701171875 9.38 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2105 157.133472442627 57942.240234375 12.05 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2106 171.076461791992 5268.70166015625 1.1 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2107 171.112846374512 20033.158203125 4.16 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2108 185.128776550293 19734.0703125 4.1 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2109 196.144348144531 224106.953125 46.59 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2110 197.128398895264 78605.6645507812 16.34 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2111 225.123069763184 17221.3359375 3.58 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2112 242.149703979492 437216.94140625 90.89 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2113 243.13374710083 59472.890625 12.36 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2114 260.160194396973 87506.4096679688 18.19 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2115 260.196388244629 21219.4587402344 4.41 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2116 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2117 RECORD_TITLE: MZ:263.1945 | RT:74.3 | grpid:278 | file:NA |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2118 MS$FOCUSED_ION: PRECURSOR_M/Z 263.194464580713 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2119 AC$CHROMATOGRAPHY: RETENTION_TIME 74.297424 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2120 XCMS groupid (grpid): 278 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2121 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2122 PK$NUM_PEAK: 20 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2123 PK$PEAK: m/z int. rel.int. |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2124 102.054862976074 2515.89672851562 17.27 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2125 104.229377746582 2670.97973632812 18.33 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2126 107.425888061523 3018.11962890625 20.72 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2127 115.45637512207 3103.68212890625 21.3 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2128 125.070919036865 7439.07629394531 51.06 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2129 126.956985473633 2508.49682617188 17.22 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2130 132.102081298828 8144.29418945312 55.9 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2131 142.271881103516 2367.89501953125 16.25 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2132 143.180847167969 2537.232421875 17.42 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2133 143.889801025391 2502.43676757812 17.18 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2134 144.065383911133 4202.63720703125 28.85 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2135 147.819519042969 3093.35034179688 21.23 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2136 153.460296630859 2812.95043945312 19.31 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2137 157.270568847656 2616.5419921875 17.96 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2138 162.07625579834 5481.19189453125 37.62 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2139 171.07600402832 5756.02001953125 39.51 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2140 181.097015380859 4316.86547851562 29.63 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2141 199.107887268066 14568.2543945312 100 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2142 215.066757202148 2878.05126953125 19.76 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2143 263.089477539062 2743.9130859375 18.83 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2144 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2145 RECORD_TITLE: MZ:263.1945 | RT:74.3 | grpid:278 | file:NA |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2146 MS$FOCUSED_ION: PRECURSOR_M/Z 263.194464580713 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2147 AC$CHROMATOGRAPHY: RETENTION_TIME 74.297424 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2148 XCMS groupid (grpid): 278 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2149 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2150 PK$NUM_PEAK: 20 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2151 PK$PEAK: m/z int. rel.int. |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2152 102.054862976074 2515.89672851562 17.27 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2153 104.229377746582 2670.97973632812 18.33 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2154 107.425888061523 3018.11962890625 20.72 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2155 115.45637512207 3103.68212890625 21.3 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2156 125.070919036865 7439.07629394531 51.06 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2157 126.956985473633 2508.49682617188 17.22 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2158 132.102081298828 8144.29418945312 55.9 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2159 142.271881103516 2367.89501953125 16.25 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2160 143.180847167969 2537.232421875 17.42 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2161 143.889801025391 2502.43676757812 17.18 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2162 144.065383911133 4202.63720703125 28.85 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2163 147.819519042969 3093.35034179688 21.23 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2164 153.460296630859 2812.95043945312 19.31 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2165 157.270568847656 2616.5419921875 17.96 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2166 162.07625579834 5481.19189453125 37.62 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2167 171.07600402832 5756.02001953125 39.51 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2168 181.097015380859 4316.86547851562 29.63 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2169 199.107887268066 14568.2543945312 100 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2170 215.066757202148 2878.05126953125 19.76 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2171 263.089477539062 2743.9130859375 18.83 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2172 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2173 RECORD_TITLE: MZ:265.0719 | RT:46.2 | grpid:282 | file:NA |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2174 MS$FOCUSED_ION: PRECURSOR_M/Z 265.07194783613 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2175 AC$CHROMATOGRAPHY: RETENTION_TIME 46.161033 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2176 XCMS groupid (grpid): 282 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2177 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2178 PK$NUM_PEAK: 26 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2179 PK$PEAK: m/z int. rel.int. |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2180 100.917579650879 5901.88012695312 8.09 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2181 114.893154144287 26118.32421875 35.8 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2182 116.069046020508 2184.07983398438 2.99 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2183 120.003452301025 51449.279296875 70.52 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2184 120.011451721191 4107.23486328125 5.63 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2185 120.842704772949 2651.08349609375 3.63 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2186 128.03197479248 6840.337890625 9.38 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2187 132.053787231445 2915.28295898438 4 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2188 132.306900024414 2790.7412109375 3.82 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2189 143.819931030273 2752.82299804688 3.77 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2190 150.013809204102 3940.181640625 5.4 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2191 159.014289855957 11402.33984375 15.63 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2192 164.029335021973 14976.8408203125 20.53 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2193 168.126541137695 2528.20141601562 3.47 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2194 177.02466583252 51129.326171875 70.08 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2195 178.974731445312 4436.08532714844 6.08 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2196 191.040214538574 42986.630859375 58.92 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2197 191.076782226562 12744.0219726562 17.47 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2198 203.040618896484 12391.6337890625 16.98 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2199 205.05598449707 3205.2880859375 4.39 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2200 207.014587402344 72961.2890625 100 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2201 207.033981323242 5734.98291015625 7.86 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2202 207.05184173584 14531.7172851562 19.92 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2203 218.967933654785 9198.8681640625 12.61 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2204 221.051002502441 15606.8374023438 21.39 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2205 265.072769165039 5121.220703125 7.02 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2206 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2207 RECORD_TITLE: MZ:265.0719 | RT:46.2 | grpid:282 | file:NA |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2208 MS$FOCUSED_ION: PRECURSOR_M/Z 265.07194783613 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2209 AC$CHROMATOGRAPHY: RETENTION_TIME 46.161033 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2210 XCMS groupid (grpid): 282 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2211 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2212 PK$NUM_PEAK: 26 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2213 PK$PEAK: m/z int. rel.int. |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2214 100.917579650879 5901.88012695312 8.09 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2215 114.893154144287 26118.32421875 35.8 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2216 116.069046020508 2184.07983398438 2.99 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2217 120.003452301025 51449.279296875 70.52 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2218 120.011451721191 4107.23486328125 5.63 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2219 120.842704772949 2651.08349609375 3.63 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2220 128.03197479248 6840.337890625 9.38 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2221 132.053787231445 2915.28295898438 4 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2222 132.306900024414 2790.7412109375 3.82 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2223 143.819931030273 2752.82299804688 3.77 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2224 150.013809204102 3940.181640625 5.4 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2225 159.014289855957 11402.33984375 15.63 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2226 164.029335021973 14976.8408203125 20.53 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2227 168.126541137695 2528.20141601562 3.47 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2228 177.02466583252 51129.326171875 70.08 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2229 178.974731445312 4436.08532714844 6.08 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2230 191.040214538574 42986.630859375 58.92 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2231 191.076782226562 12744.0219726562 17.47 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2232 203.040618896484 12391.6337890625 16.98 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2233 205.05598449707 3205.2880859375 4.39 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2234 207.014587402344 72961.2890625 100 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2235 207.033981323242 5734.98291015625 7.86 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2236 207.05184173584 14531.7172851562 19.92 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2237 218.967933654785 9198.8681640625 12.61 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2238 221.051002502441 15606.8374023438 21.39 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2239 265.072769165039 5121.220703125 7.02 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2240 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2241 RECORD_TITLE: MZ:268.9977 | RT:42.4 | grpid:298 | file:NA |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2242 MS$FOCUSED_ION: PRECURSOR_M/Z 268.997725920593 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2243 AC$CHROMATOGRAPHY: RETENTION_TIME 42.4292958 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2244 XCMS groupid (grpid): 298 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2245 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2246 PK$NUM_PEAK: 24 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2247 PK$PEAK: m/z int. rel.int. |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2248 104.992702484131 2385384.125 100 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2249 112.895988464355 53725.052734375 2.25 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2250 113.738670349121 3244.43115234375 0.14 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2251 115.773323059082 2838.77758789062 0.12 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2252 123.003398895264 4121.5126953125 0.17 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2253 130.049285888672 3339.44555664062 0.14 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2254 135.772277832031 3055.81420898438 0.13 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2255 146.019088745117 20828.4692382812 0.87 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2256 148.2451171875 3183.01879882812 0.13 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2257 154.949859619141 3207.18774414062 0.13 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2258 170.042404174805 13054.3935546875 0.55 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2259 176.162475585938 3204.0498046875 0.13 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2260 176.406677246094 3311.90942382812 0.14 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2261 176.992706298828 5391.88793945312 0.23 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2262 186.912040710449 34291.3681640625 1.44 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2263 186.995277404785 71035.099609375 2.98 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2264 192.990707397461 8688.34057617188 0.36 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2265 204.922706604004 23608.8330078125 0.99 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2266 252.058502197266 5009.93701171875 0.21 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2267 269.039306640625 5043.013671875 0.21 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2268 269.085510253906 8565.349609375 0.36 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2269 269.111618041992 15797.35546875 0.66 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2270 273.454193115234 2715.39135742188 0.11 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2271 276.519256591797 3091.81103515625 0.13 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2272 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2273 RECORD_TITLE: MZ:268.9977 | RT:42.4 | grpid:298 | file:NA |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2274 MS$FOCUSED_ION: PRECURSOR_M/Z 268.997725920593 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2275 AC$CHROMATOGRAPHY: RETENTION_TIME 42.4292958 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2276 XCMS groupid (grpid): 298 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2277 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2278 PK$NUM_PEAK: 24 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2279 PK$PEAK: m/z int. rel.int. |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2280 104.992702484131 2385384.125 100 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2281 112.895988464355 53725.052734375 2.25 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2282 113.738670349121 3244.43115234375 0.14 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2283 115.773323059082 2838.77758789062 0.12 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2284 123.003398895264 4121.5126953125 0.17 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2285 130.049285888672 3339.44555664062 0.14 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2286 135.772277832031 3055.81420898438 0.13 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2287 146.019088745117 20828.4692382812 0.87 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2288 148.2451171875 3183.01879882812 0.13 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2289 154.949859619141 3207.18774414062 0.13 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2290 170.042404174805 13054.3935546875 0.55 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2291 176.162475585938 3204.0498046875 0.13 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2292 176.406677246094 3311.90942382812 0.14 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2293 176.992706298828 5391.88793945312 0.23 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2294 186.912040710449 34291.3681640625 1.44 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2295 186.995277404785 71035.099609375 2.98 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2296 192.990707397461 8688.34057617188 0.36 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2297 204.922706604004 23608.8330078125 0.99 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2298 252.058502197266 5009.93701171875 0.21 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2299 269.039306640625 5043.013671875 0.21 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2300 269.085510253906 8565.349609375 0.36 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2301 269.111618041992 15797.35546875 0.66 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2302 273.454193115234 2715.39135742188 0.11 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2303 276.519256591797 3091.81103515625 0.13 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2304 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2305 RECORD_TITLE: MZ:272.1708 | RT:59.1 | grpid:303 | file:NA |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2306 MS$FOCUSED_ION: PRECURSOR_M/Z 272.170776556479 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2307 AC$CHROMATOGRAPHY: RETENTION_TIME 59.113914 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2308 XCMS groupid (grpid): 303 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2309 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2310 PK$NUM_PEAK: 59 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2311 PK$PEAK: m/z int. rel.int. |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2312 100.076238632202 13580.1105957031 1.92 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2313 110.023941040039 4066.50732421875 0.58 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2314 110.07160949707 5794.01782226562 0.82 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2315 112.087251663208 245527.328125 34.8 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2316 113.071655273438 4598.30322265625 0.65 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2317 114.05598449707 3411.90991210938 0.48 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2318 114.103385925293 3633.01293945312 0.51 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2319 115.086784362793 29627.4443359375 4.2 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2320 116.070888519287 380394.5 53.91 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2321 123.485488891602 3156.89135742188 0.45 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2322 125.071502685547 6160.11779785156 0.87 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2323 127.050369262695 6405.94409179688 0.91 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2324 128.070720672607 6157.55749511719 0.87 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2325 129.674026489258 3974.34008789062 0.56 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2326 130.050064086914 8027.97314453125 1.14 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2327 130.097679138184 16020.3298339844 2.27 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2328 130.525375366211 2623.5224609375 0.37 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2329 134.102203369141 2664.96557617188 0.38 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2330 138.055046081543 6695.54516601562 0.95 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2331 140.081768035889 38820.794921875 5.5 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2332 141.258346557617 3243.73388671875 0.46 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2333 144.065307617188 4190.72900390625 0.59 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2334 151.123107910156 15358.0568847656 2.18 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2335 154.034561157227 3980.0673828125 0.56 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2336 157.108360290527 89400.1806640625 12.67 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2337 158.092414855957 94847.822265625 13.44 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2338 167.11833190918 5960.1396484375 0.84 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2339 168.10139465332 3220.1953125 0.46 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2340 168.990600585938 9701.21533203125 1.37 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2341 172.952041625977 5756.025390625 0.82 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2342 172.985542297363 6796.45141601562 0.96 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2343 173.092254638672 4668.1748046875 0.66 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2344 175.118927001953 400606.59375 56.78 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2345 176.587432861328 2728.27294921875 0.39 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2346 181.986114501953 14961.6812744141 2.12 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2347 182.080230712891 3442.48120117188 0.49 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2348 185.103530883789 4269.2392578125 0.61 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2349 192.113010406494 11635.4299316406 1.65 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2350 194.128993988037 14926.5252685547 2.12 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2351 195.112949371338 83137.09375 11.78 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2352 196.081298828125 3017.048828125 0.43 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2353 196.09642791748 30735.1291503906 4.36 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2354 199.996185302734 3998.71301269531 0.57 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2355 209.092132568359 3605.17626953125 0.51 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2356 209.139106750488 5358.55688476562 0.76 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2357 212.139331817627 5097.08142089844 0.72 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2358 213.123264312744 223750.30859375 31.71 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2359 213.143684387207 5190.94213867188 0.74 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2360 223.013259887695 3245.58422851562 0.46 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2361 226.118434906006 8015.03002929688 1.14 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2362 232.815322875977 2904.64306640625 0.41 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2363 237.134162902832 4934.0205078125 0.7 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2364 238.117919921875 44665.9409179688 6.33 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2365 238.11897277832 25840.982421875 3.66 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2366 254.160995483398 76258.599609375 10.81 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2367 255.11735534668 6694.04296875 0.95 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2368 255.122634887695 4730.10205078125 0.67 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2369 255.14493560791 197644.3359375 28.01 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2370 272.171417236328 705557.640625 100 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2371 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2372 RECORD_TITLE: MZ:272.1708 | RT:59.1 | grpid:303 | file:NA |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2373 MS$FOCUSED_ION: PRECURSOR_M/Z 272.170776556479 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2374 AC$CHROMATOGRAPHY: RETENTION_TIME 59.113914 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2375 XCMS groupid (grpid): 303 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2376 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2377 PK$NUM_PEAK: 59 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2378 PK$PEAK: m/z int. rel.int. |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2379 100.076238632202 13580.1105957031 1.92 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2380 110.023941040039 4066.50732421875 0.58 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2381 110.07160949707 5794.01782226562 0.82 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2382 112.087251663208 245527.328125 34.8 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2383 113.071655273438 4598.30322265625 0.65 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2384 114.05598449707 3411.90991210938 0.48 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2385 114.103385925293 3633.01293945312 0.51 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2386 115.086784362793 29627.4443359375 4.2 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2387 116.070888519287 380394.5 53.91 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2388 123.485488891602 3156.89135742188 0.45 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2389 125.071502685547 6160.11779785156 0.87 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2390 127.050369262695 6405.94409179688 0.91 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2391 128.070720672607 6157.55749511719 0.87 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2392 129.674026489258 3974.34008789062 0.56 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2393 130.050064086914 8027.97314453125 1.14 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2394 130.097679138184 16020.3298339844 2.27 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2395 130.525375366211 2623.5224609375 0.37 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2396 134.102203369141 2664.96557617188 0.38 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2397 138.055046081543 6695.54516601562 0.95 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2398 140.081768035889 38820.794921875 5.5 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2399 141.258346557617 3243.73388671875 0.46 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2400 144.065307617188 4190.72900390625 0.59 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2401 151.123107910156 15358.0568847656 2.18 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2402 154.034561157227 3980.0673828125 0.56 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2403 157.108360290527 89400.1806640625 12.67 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2404 158.092414855957 94847.822265625 13.44 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2405 167.11833190918 5960.1396484375 0.84 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2406 168.10139465332 3220.1953125 0.46 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2407 168.990600585938 9701.21533203125 1.37 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2408 172.952041625977 5756.025390625 0.82 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2409 172.985542297363 6796.45141601562 0.96 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2410 173.092254638672 4668.1748046875 0.66 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2411 175.118927001953 400606.59375 56.78 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2412 176.587432861328 2728.27294921875 0.39 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2413 181.986114501953 14961.6812744141 2.12 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2414 182.080230712891 3442.48120117188 0.49 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2415 185.103530883789 4269.2392578125 0.61 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2416 192.113010406494 11635.4299316406 1.65 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2417 194.128993988037 14926.5252685547 2.12 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2418 195.112949371338 83137.09375 11.78 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2419 196.081298828125 3017.048828125 0.43 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2420 196.09642791748 30735.1291503906 4.36 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2421 199.996185302734 3998.71301269531 0.57 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2422 209.092132568359 3605.17626953125 0.51 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2423 209.139106750488 5358.55688476562 0.76 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2424 212.139331817627 5097.08142089844 0.72 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2425 213.123264312744 223750.30859375 31.71 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2426 213.143684387207 5190.94213867188 0.74 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2427 223.013259887695 3245.58422851562 0.46 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2428 226.118434906006 8015.03002929688 1.14 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2429 232.815322875977 2904.64306640625 0.41 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2430 237.134162902832 4934.0205078125 0.7 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2431 238.117919921875 44665.9409179688 6.33 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2432 238.11897277832 25840.982421875 3.66 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2433 254.160995483398 76258.599609375 10.81 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2434 255.11735534668 6694.04296875 0.95 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2435 255.122634887695 4730.10205078125 0.67 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2436 255.14493560791 197644.3359375 28.01 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2437 272.171417236328 705557.640625 100 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2438 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2439 RECORD_TITLE: MZ:274.1757 | RT:93.5 | grpid:306 | file:NA |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2440 MS$FOCUSED_ION: PRECURSOR_M/Z 274.175657429697 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2441 AC$CHROMATOGRAPHY: RETENTION_TIME 93.504684 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2442 XCMS groupid (grpid): 306 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2443 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2444 PK$NUM_PEAK: 22 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2445 PK$PEAK: m/z int. rel.int. |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2446 101.068878173828 3083.6005859375 2.16 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2447 107.794586181641 2516.4248046875 1.76 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2448 111.12141418457 2919.10546875 2.04 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2449 115.086799621582 4384.91125488281 3.07 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2450 118.139419555664 2762.68212890625 1.93 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2451 134.339370727539 3014.974609375 2.11 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2452 152.241439819336 2889.55200195312 2.02 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2453 157.133628845215 143051.913085938 100 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2454 161.092281341553 102580.513183594 71.71 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2455 161.105804443359 4702.1435546875 3.29 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2456 171.14920425415 63965.1669921875 44.71 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2457 171.16291809082 5722.12744140625 4 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2458 171.217880249023 2739.57739257812 1.92 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2459 175.107788085938 28340.4921875 19.81 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2460 185.128726959229 55430.9189453125 38.75 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2461 185.144317626953 3739.43701171875 2.61 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2462 199.144134521484 8823.5625 6.17 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2463 203.91975402832 2890.12939453125 2.02 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2464 213.804061889648 2904.75952148438 2.03 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2465 240.998413085938 3096.86401367188 2.16 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2466 244.528472900391 3161.3740234375 2.21 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2467 293.943817138672 3003.84594726562 2.1 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2468 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2469 RECORD_TITLE: MZ:274.1757 | RT:93.5 | grpid:306 | file:NA |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2470 MS$FOCUSED_ION: PRECURSOR_M/Z 274.175657429697 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2471 AC$CHROMATOGRAPHY: RETENTION_TIME 93.504684 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2472 XCMS groupid (grpid): 306 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2473 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2474 PK$NUM_PEAK: 22 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2475 PK$PEAK: m/z int. rel.int. |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2476 101.068878173828 3083.6005859375 2.16 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2477 107.794586181641 2516.4248046875 1.76 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2478 111.12141418457 2919.10546875 2.04 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2479 115.086799621582 4384.91125488281 3.07 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2480 118.139419555664 2762.68212890625 1.93 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2481 134.339370727539 3014.974609375 2.11 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2482 152.241439819336 2889.55200195312 2.02 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2483 157.133628845215 143051.913085938 100 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2484 161.092281341553 102580.513183594 71.71 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2485 161.105804443359 4702.1435546875 3.29 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2486 171.14920425415 63965.1669921875 44.71 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2487 171.16291809082 5722.12744140625 4 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2488 171.217880249023 2739.57739257812 1.92 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2489 175.107788085938 28340.4921875 19.81 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2490 185.128726959229 55430.9189453125 38.75 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2491 185.144317626953 3739.43701171875 2.61 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2492 199.144134521484 8823.5625 6.17 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2493 203.91975402832 2890.12939453125 2.02 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2494 213.804061889648 2904.75952148438 2.03 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2495 240.998413085938 3096.86401367188 2.16 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2496 244.528472900391 3161.3740234375 2.21 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2497 293.943817138672 3003.84594726562 2.1 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2498 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2499 RECORD_TITLE: MZ:277.1029 | RT:34 | grpid:311 | file:NA |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2500 MS$FOCUSED_ION: PRECURSOR_M/Z 277.102858679325 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2501 AC$CHROMATOGRAPHY: RETENTION_TIME 34.0415226 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2502 XCMS groupid (grpid): 311 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2503 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2504 PK$NUM_PEAK: 36 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2505 PK$PEAK: m/z int. rel.int. |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2506 101.117088317871 2863.08325195312 4.34 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2507 102.055328369141 40213.029296875 61.01 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2508 103.058689117432 30321.7890625 46 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2509 111.366973876953 2833.31323242188 4.3 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2510 121.485000610352 2537.43798828125 3.85 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2511 130.049976348877 64740.119140625 98.22 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2512 131.053558349609 65911.845703125 100 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2513 135.140594482422 2774.06518554688 4.21 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2514 137.712448120117 2819.294921875 4.28 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2515 142.942428588867 2860.3330078125 4.34 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2516 145.24836730957 2623.4052734375 3.98 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2517 148.060188293457 49811.416015625 75.57 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2518 149.063926696777 48054.1865234375 72.91 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2519 168.065742492676 7964.74584960938 12.08 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2520 168.085021972656 3935.74194335938 5.97 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2521 169.069152832031 19103.474609375 28.98 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2522 171.077941894531 3176.71948242188 4.82 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2523 187.943496704102 2877.6943359375 4.37 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2524 195.076248168945 5258.607421875 7.98 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2525 196.0625 2881.5732421875 4.37 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2526 196.079696655273 10778.5263671875 16.35 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2527 197.063247680664 10964.5751953125 16.64 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2528 200.51123046875 2897.78002929688 4.4 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2529 214.070541381836 3659.35961914062 5.55 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2530 214.089920043945 3769.673828125 5.72 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2531 215.074676513672 16016.048828125 24.3 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2532 216.662963867188 3348.08642578125 5.08 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2533 241.082122802734 18428.041015625 27.96 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2534 242.085220336914 16946.2666015625 25.71 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2535 243.068954467773 3263.1953125 4.95 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2536 259.091766357422 11490.0615234375 17.43 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2537 260.077758789062 3573.9892578125 5.42 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2538 260.095977783203 11718.8095703125 17.78 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2539 261.079376220703 10932.662109375 16.59 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2540 278.105987548828 5054.4541015625 7.67 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2541 296.483093261719 2672.47143554688 4.05 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2542 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2543 RECORD_TITLE: MZ:277.1029 | RT:34 | grpid:311 | file:NA |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2544 MS$FOCUSED_ION: PRECURSOR_M/Z 277.102858679325 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2545 AC$CHROMATOGRAPHY: RETENTION_TIME 34.0415226 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2546 XCMS groupid (grpid): 311 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2547 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2548 PK$NUM_PEAK: 36 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2549 PK$PEAK: m/z int. rel.int. |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2550 101.117088317871 2863.08325195312 4.34 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2551 102.055328369141 40213.029296875 61.01 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2552 103.058689117432 30321.7890625 46 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2553 111.366973876953 2833.31323242188 4.3 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2554 121.485000610352 2537.43798828125 3.85 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2555 130.049976348877 64740.119140625 98.22 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2556 131.053558349609 65911.845703125 100 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2557 135.140594482422 2774.06518554688 4.21 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2558 137.712448120117 2819.294921875 4.28 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2559 142.942428588867 2860.3330078125 4.34 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2560 145.24836730957 2623.4052734375 3.98 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2561 148.060188293457 49811.416015625 75.57 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2562 149.063926696777 48054.1865234375 72.91 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2563 168.065742492676 7964.74584960938 12.08 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2564 168.085021972656 3935.74194335938 5.97 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2565 169.069152832031 19103.474609375 28.98 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2566 171.077941894531 3176.71948242188 4.82 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2567 187.943496704102 2877.6943359375 4.37 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2568 195.076248168945 5258.607421875 7.98 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2569 196.0625 2881.5732421875 4.37 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2570 196.079696655273 10778.5263671875 16.35 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2571 197.063247680664 10964.5751953125 16.64 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2572 200.51123046875 2897.78002929688 4.4 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2573 214.070541381836 3659.35961914062 5.55 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2574 214.089920043945 3769.673828125 5.72 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2575 215.074676513672 16016.048828125 24.3 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2576 216.662963867188 3348.08642578125 5.08 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2577 241.082122802734 18428.041015625 27.96 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2578 242.085220336914 16946.2666015625 25.71 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2579 243.068954467773 3263.1953125 4.95 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2580 259.091766357422 11490.0615234375 17.43 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2581 260.077758789062 3573.9892578125 5.42 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2582 260.095977783203 11718.8095703125 17.78 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2583 261.079376220703 10932.662109375 16.59 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2584 278.105987548828 5054.4541015625 7.67 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2585 296.483093261719 2672.47143554688 4.05 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2586 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2587 RECORD_TITLE: MZ:279.1033 | RT:63.7 | grpid:313 | file:NA |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2588 MS$FOCUSED_ION: PRECURSOR_M/Z 279.103270568746 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2589 AC$CHROMATOGRAPHY: RETENTION_TIME 63.683916 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2590 XCMS groupid (grpid): 313 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2591 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2592 PK$NUM_PEAK: 27 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2593 PK$PEAK: m/z int. rel.int. |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2594 102.055374145508 99060.15625 12.22 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2595 104.053268432617 810346.25 100 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2596 105.037216186523 4860.92724609375 0.6 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2597 105.119819641113 3536.46728515625 0.44 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2598 121.028755187988 4230.94873046875 0.52 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2599 122.060264587402 48331.40625 5.96 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2600 130.049957275391 166260.296875 20.52 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2601 130.059768676758 5725.16845703125 0.71 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2602 131.016021728516 21972.888671875 2.71 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2603 133.031845092773 643111.375 79.36 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2604 136.075653076172 6655.1328125 0.82 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2605 138.59294128418 3106.81518554688 0.38 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2606 140.033798217773 4807.77783203125 0.59 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2607 140.070190429688 5408.396484375 0.67 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2608 142.049545288086 3321.40600585938 0.41 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2609 147.306976318359 3170.48095703125 0.39 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2610 149.023406982422 131090.984375 16.18 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2611 150.058334350586 539588 66.59 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2612 153.8173828125 2858.638671875 0.35 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2613 167.081314086914 15029.8408203125 1.85 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2614 168.065551757812 121723.78125 15.02 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2615 170.062957763672 31012.787109375 3.83 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2616 185.091812133789 4823.31982421875 0.6 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2617 186.126800537109 3235.509765625 0.4 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2618 216.06852722168 75573.1875 9.33 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2619 262.074645996094 45437.76171875 5.61 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2620 279.099304199219 7316.77685546875 0.9 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2621 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2622 RECORD_TITLE: MZ:279.1033 | RT:63.7 | grpid:313 | file:NA |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2623 MS$FOCUSED_ION: PRECURSOR_M/Z 279.103270568746 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2624 AC$CHROMATOGRAPHY: RETENTION_TIME 63.683916 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2625 XCMS groupid (grpid): 313 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2626 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2627 PK$NUM_PEAK: 27 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2628 PK$PEAK: m/z int. rel.int. |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2629 102.055374145508 99060.15625 12.22 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2630 104.053268432617 810346.25 100 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2631 105.037216186523 4860.92724609375 0.6 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2632 105.119819641113 3536.46728515625 0.44 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2633 121.028755187988 4230.94873046875 0.52 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2634 122.060264587402 48331.40625 5.96 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2635 130.049957275391 166260.296875 20.52 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2636 130.059768676758 5725.16845703125 0.71 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2637 131.016021728516 21972.888671875 2.71 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2638 133.031845092773 643111.375 79.36 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2639 136.075653076172 6655.1328125 0.82 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2640 138.59294128418 3106.81518554688 0.38 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2641 140.033798217773 4807.77783203125 0.59 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2642 140.070190429688 5408.396484375 0.67 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2643 142.049545288086 3321.40600585938 0.41 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2644 147.306976318359 3170.48095703125 0.39 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2645 149.023406982422 131090.984375 16.18 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2646 150.058334350586 539588 66.59 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2647 153.8173828125 2858.638671875 0.35 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2648 167.081314086914 15029.8408203125 1.85 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2649 168.065551757812 121723.78125 15.02 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2650 170.062957763672 31012.787109375 3.83 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2651 185.091812133789 4823.31982421875 0.6 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2652 186.126800537109 3235.509765625 0.4 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2653 216.06852722168 75573.1875 9.33 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2654 262.074645996094 45437.76171875 5.61 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2655 279.099304199219 7316.77685546875 0.9 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2656 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2657 RECORD_TITLE: MZ:280.0487 | RT:70.5 | grpid:315 | file:NA |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2658 MS$FOCUSED_ION: PRECURSOR_M/Z 280.048703311343 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2659 AC$CHROMATOGRAPHY: RETENTION_TIME 70.461672 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2660 XCMS groupid (grpid): 315 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2661 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2662 PK$NUM_PEAK: 64 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2663 PK$PEAK: m/z int. rel.int. |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2664 116.98596572876 61798.4921875 36.7 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2665 120.081001281738 11129.6591796875 6.61 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2666 122.500762939453 2979.67431640625 1.77 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2667 123.669364929199 2818.08227539062 1.67 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2668 124.297996520996 2718.25439453125 1.61 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2669 126.041282653809 2491.48876953125 1.48 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2670 134.996688842773 50228.63671875 29.83 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2671 135.49528503418 2877.74267578125 1.71 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2672 135.777297973633 2776.31372070312 1.65 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2673 136.076446533203 2825.89599609375 1.68 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2674 140.002098083496 10751.1904296875 6.39 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2675 149.023277282715 8917.1533203125 5.3 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2676 150.026840209961 13717.3823242188 8.15 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2677 153.006996154785 5331.53100585938 3.17 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2678 158.012390136719 19069.6362304688 11.33 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2679 165.993629455566 13241.3037109375 7.86 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2680 169.017456054688 13469.8449707031 8 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2681 176.023086547852 3675.767578125 2.18 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2682 181.017181396484 10685.3251953125 6.35 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2683 183.033027648926 11589.2138671875 6.88 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2684 183.073997497559 4341.4931640625 2.58 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2685 184.004425048828 64257.958984375 38.16 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2686 187.028060913086 20497.5346679688 12.17 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2687 189.010116577148 3022.36352539062 1.79 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2688 192.031799316406 21062.65234375 12.51 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2689 192.032958984375 60132.24609375 35.71 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2690 194.048889160156 30368.8994140625 18.04 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2691 196.004333496094 4326.826171875 2.57 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2692 197.012634277344 5415.9453125 3.22 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2693 199.02751159668 3031.81616210938 1.8 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2694 201.04370880127 17200.8422851562 10.22 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2695 202.015258789062 14707.4057617188 8.73 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2696 206.012451171875 10541.4848632812 6.26 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2697 207.019973754883 17314.962890625 10.28 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2698 208.028656005859 6188.95556640625 3.68 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2699 209.879653930664 2802.0390625 1.66 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2700 210.043609619141 38763.333984375 23.02 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2701 212.058746337891 31749.2138671875 18.86 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2702 214.049499511719 3524.46118164062 2.09 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2703 216.12255859375 3983.77563476562 2.37 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2704 220.028350830078 27485.8828125 16.32 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2705 224.022994995117 39214.3447265625 23.29 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2706 225.031646728516 4745.40576171875 2.82 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2707 226.31071472168 2903.41137695312 1.72 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2708 232.589385986328 3353.01708984375 1.99 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2709 233.060745239258 14478.4443359375 8.6 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2710 235.027847290039 17812.7006835938 10.58 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2711 235.075042724609 10675.3815917969 6.34 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2712 238.038345336914 112116.19140625 66.58 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2713 242.033256530762 26456.486328125 15.71 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2714 247.039764404297 10463.0517578125 6.21 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2715 252.053573608398 3761.64624023438 2.23 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2716 253.038848876953 11243.70703125 6.68 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2717 256.048934936523 168380.69140625 100 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2718 257.906707763672 2842.23803710938 1.69 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2719 258.058746337891 2875.9072265625 1.71 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2720 260.416839599609 3550.6279296875 2.11 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2721 261.0546875 50311.10546875 29.88 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2722 274.060211181641 10396.4326171875 6.17 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2723 279.065093994141 38826.17578125 23.06 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2724 279.905609130859 3107.13793945312 1.85 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2725 280.049163818359 13564.6298828125 8.06 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2726 280.126480102539 3986.17358398438 2.37 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2727 302.081359863281 12904.4560546875 7.66 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2728 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2729 RECORD_TITLE: MZ:280.0487 | RT:70.5 | grpid:315 | file:NA |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2730 MS$FOCUSED_ION: PRECURSOR_M/Z 280.048703311343 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2731 AC$CHROMATOGRAPHY: RETENTION_TIME 70.461672 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2732 XCMS groupid (grpid): 315 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2733 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2734 PK$NUM_PEAK: 64 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2735 PK$PEAK: m/z int. rel.int. |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2736 116.98596572876 61798.4921875 36.7 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2737 120.081001281738 11129.6591796875 6.61 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2738 122.500762939453 2979.67431640625 1.77 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2739 123.669364929199 2818.08227539062 1.67 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2740 124.297996520996 2718.25439453125 1.61 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2741 126.041282653809 2491.48876953125 1.48 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2742 134.996688842773 50228.63671875 29.83 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2743 135.49528503418 2877.74267578125 1.71 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2744 135.777297973633 2776.31372070312 1.65 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2745 136.076446533203 2825.89599609375 1.68 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2746 140.002098083496 10751.1904296875 6.39 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2747 149.023277282715 8917.1533203125 5.3 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2748 150.026840209961 13717.3823242188 8.15 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2749 153.006996154785 5331.53100585938 3.17 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2750 158.012390136719 19069.6362304688 11.33 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2751 165.993629455566 13241.3037109375 7.86 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2752 169.017456054688 13469.8449707031 8 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2753 176.023086547852 3675.767578125 2.18 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2754 181.017181396484 10685.3251953125 6.35 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2755 183.033027648926 11589.2138671875 6.88 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2756 183.073997497559 4341.4931640625 2.58 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2757 184.004425048828 64257.958984375 38.16 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2758 187.028060913086 20497.5346679688 12.17 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2759 189.010116577148 3022.36352539062 1.79 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2760 192.031799316406 21062.65234375 12.51 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2761 192.032958984375 60132.24609375 35.71 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2762 194.048889160156 30368.8994140625 18.04 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2763 196.004333496094 4326.826171875 2.57 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2764 197.012634277344 5415.9453125 3.22 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2765 199.02751159668 3031.81616210938 1.8 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2766 201.04370880127 17200.8422851562 10.22 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2767 202.015258789062 14707.4057617188 8.73 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2768 206.012451171875 10541.4848632812 6.26 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2769 207.019973754883 17314.962890625 10.28 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2770 208.028656005859 6188.95556640625 3.68 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2771 209.879653930664 2802.0390625 1.66 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2772 210.043609619141 38763.333984375 23.02 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2773 212.058746337891 31749.2138671875 18.86 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2774 214.049499511719 3524.46118164062 2.09 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2775 216.12255859375 3983.77563476562 2.37 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2776 220.028350830078 27485.8828125 16.32 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2777 224.022994995117 39214.3447265625 23.29 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2778 225.031646728516 4745.40576171875 2.82 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2779 226.31071472168 2903.41137695312 1.72 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2780 232.589385986328 3353.01708984375 1.99 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2781 233.060745239258 14478.4443359375 8.6 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2782 235.027847290039 17812.7006835938 10.58 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2783 235.075042724609 10675.3815917969 6.34 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2784 238.038345336914 112116.19140625 66.58 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2785 242.033256530762 26456.486328125 15.71 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2786 247.039764404297 10463.0517578125 6.21 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2787 252.053573608398 3761.64624023438 2.23 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2788 253.038848876953 11243.70703125 6.68 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2789 256.048934936523 168380.69140625 100 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2790 257.906707763672 2842.23803710938 1.69 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2791 258.058746337891 2875.9072265625 1.71 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2792 260.416839599609 3550.6279296875 2.11 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2793 261.0546875 50311.10546875 29.88 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2794 274.060211181641 10396.4326171875 6.17 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2795 279.065093994141 38826.17578125 23.06 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2796 279.905609130859 3107.13793945312 1.85 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2797 280.049163818359 13564.6298828125 8.06 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2798 280.126480102539 3986.17358398438 2.37 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2799 302.081359863281 12904.4560546875 7.66 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2800 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2801 RECORD_TITLE: MZ:281.1525 | RT:75 | grpid:320 | file:NA |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2802 MS$FOCUSED_ION: PRECURSOR_M/Z 281.15252384442 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2803 AC$CHROMATOGRAPHY: RETENTION_TIME 75.040038 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2804 XCMS groupid (grpid): 320 |
|
ca0ac330f1a4
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_inter' msPurity version:1.11.0 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2806 PK$NUM_PEAK: 15 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2807 PK$PEAK: m/z int. rel.int. |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2808 101.264610290527 2750.7802734375 0.33 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2809 103.054683685303 29620.525390625 3.51 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2810 119.951507568359 2629.16333007812 0.31 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2811 120.081024169922 843602.5625 100 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2812 134.044914245605 4878.39013671875 0.58 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2813 143.130569458008 2861.20629882812 0.34 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2814 150.797470092773 2805.65991210938 0.33 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2815 153.656585693359 2774.79541015625 0.33 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2816 153.720336914062 3543.21435546875 0.42 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2817 157.364059448242 2556.23803710938 0.3 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2818 189.584426879883 3025.72802734375 0.36 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2819 196.631576538086 2650.54321289062 0.31 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2820 221.813919067383 2534.84301757812 0.3 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2821 239.329803466797 2676.6943359375 0.32 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2822 267.996520996094 2868.07666015625 0.34 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2823 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2824 RECORD_TITLE: MZ:281.1525 | RT:75 | grpid:320 | file:NA |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2825 MS$FOCUSED_ION: PRECURSOR_M/Z 281.15252384442 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2826 AC$CHROMATOGRAPHY: RETENTION_TIME 75.040038 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2827 XCMS groupid (grpid): 320 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2828 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2829 PK$NUM_PEAK: 15 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2830 PK$PEAK: m/z int. rel.int. |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2831 101.264610290527 2750.7802734375 0.33 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2832 103.054683685303 29620.525390625 3.51 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2833 119.951507568359 2629.16333007812 0.31 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2834 120.081024169922 843602.5625 100 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2835 134.044914245605 4878.39013671875 0.58 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2836 143.130569458008 2861.20629882812 0.34 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2837 150.797470092773 2805.65991210938 0.33 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2838 153.656585693359 2774.79541015625 0.33 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2839 153.720336914062 3543.21435546875 0.42 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2840 157.364059448242 2556.23803710938 0.3 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2841 189.584426879883 3025.72802734375 0.36 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2842 196.631576538086 2650.54321289062 0.31 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2843 221.813919067383 2534.84301757812 0.3 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2844 239.329803466797 2676.6943359375 0.32 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2845 267.996520996094 2868.07666015625 0.34 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2846 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2847 RECORD_TITLE: MZ:285.0838 | RT:83.4 | grpid:329 | file:NA |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2848 MS$FOCUSED_ION: PRECURSOR_M/Z 285.083759240311 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2849 AC$CHROMATOGRAPHY: RETENTION_TIME 83.441172 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2850 XCMS groupid (grpid): 329 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2851 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2852 PK$NUM_PEAK: 21 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2853 PK$PEAK: m/z int. rel.int. |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2854 102.877166748047 11391.2080078125 0.4 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2855 103.039432525635 42304.3100585938 1.48 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2856 108.379875183105 10036.453125 0.35 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2857 110.035228729248 128904.1328125 4.5 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2858 110.071636199951 9775.0302734375 0.34 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2859 115.03928565979 159300.71484375 5.56 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2860 115.047416687012 6747.39404296875 0.24 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2861 116.07063293457 4897.9365234375 0.17 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2862 128.045761108398 26349.6105957031 0.92 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2863 133.0107421875 3597.33544921875 0.13 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2864 133.049610137939 188548.55859375 6.58 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2865 136.014156341553 235963.36328125 8.23 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2866 141.1025390625 4594.5947265625 0.16 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2867 142.105499267578 4813.17431640625 0.17 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2868 153.040687561035 2867347.8125 100 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2869 154.024669647217 299269.625 10.44 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2870 154.037750244141 3651.73815917969 0.13 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2871 169.74462890625 11478.4873046875 0.4 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2872 276.099914550781 12241.7314453125 0.43 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2873 283.922821044922 10031.16015625 0.35 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2874 301.9716796875 10684.52734375 0.37 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2875 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2876 RECORD_TITLE: MZ:285.0838 | RT:83.4 | grpid:329 | file:NA |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2877 MS$FOCUSED_ION: PRECURSOR_M/Z 285.083759240311 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2878 AC$CHROMATOGRAPHY: RETENTION_TIME 83.441172 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2879 XCMS groupid (grpid): 329 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2880 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2881 PK$NUM_PEAK: 21 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2882 PK$PEAK: m/z int. rel.int. |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2883 102.877166748047 11391.2080078125 0.4 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2884 103.039432525635 42304.3100585938 1.48 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2885 108.379875183105 10036.453125 0.35 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2886 110.035228729248 128904.1328125 4.5 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2887 110.071636199951 9775.0302734375 0.34 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2888 115.03928565979 159300.71484375 5.56 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2889 115.047416687012 6747.39404296875 0.24 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2890 116.07063293457 4897.9365234375 0.17 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2891 128.045761108398 26349.6105957031 0.92 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2892 133.0107421875 3597.33544921875 0.13 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2893 133.049610137939 188548.55859375 6.58 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2894 136.014156341553 235963.36328125 8.23 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2895 141.1025390625 4594.5947265625 0.16 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2896 142.105499267578 4813.17431640625 0.17 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2897 153.040687561035 2867347.8125 100 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2898 154.024669647217 299269.625 10.44 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2899 154.037750244141 3651.73815917969 0.13 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2900 169.74462890625 11478.4873046875 0.4 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2901 276.099914550781 12241.7314453125 0.43 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2902 283.922821044922 10031.16015625 0.35 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2903 301.9716796875 10684.52734375 0.37 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2904 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2905 RECORD_TITLE: MZ:287.052 | RT:43.2 | grpid:332 | file:NA |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2906 MS$FOCUSED_ION: PRECURSOR_M/Z 287.052049791825 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2907 AC$CHROMATOGRAPHY: RETENTION_TIME 43.1829192 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2908 XCMS groupid (grpid): 332 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2909 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2910 PK$NUM_PEAK: 12 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2911 PK$PEAK: m/z int. rel.int. |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2912 111.116577148438 2635.97485351562 3.74 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2913 113.805793762207 2529.7333984375 3.59 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2914 127.086990356445 3527.62426757812 5 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2915 160.03483581543 3110.06176757812 4.41 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2916 176.903930664062 2737.58935546875 3.88 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2917 194.251007080078 2985.20288085938 4.23 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2918 200.040542602539 2946.06127929688 4.18 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2919 214.034713745117 5480.310546875 7.77 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2920 230.111846923828 3778.5263671875 5.36 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2921 269.040222167969 2981.3544921875 4.23 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2922 287.050201416016 70541.3828125 100 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2923 304.021636962891 2973.06982421875 4.21 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2924 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2925 RECORD_TITLE: MZ:287.052 | RT:43.2 | grpid:332 | file:NA |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2926 MS$FOCUSED_ION: PRECURSOR_M/Z 287.052049791825 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2927 AC$CHROMATOGRAPHY: RETENTION_TIME 43.1829192 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2928 XCMS groupid (grpid): 332 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2929 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2930 PK$NUM_PEAK: 12 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2931 PK$PEAK: m/z int. rel.int. |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2932 111.116577148438 2635.97485351562 3.74 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2933 113.805793762207 2529.7333984375 3.59 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2934 127.086990356445 3527.62426757812 5 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2935 160.03483581543 3110.06176757812 4.41 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2936 176.903930664062 2737.58935546875 3.88 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2937 194.251007080078 2985.20288085938 4.23 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2938 200.040542602539 2946.06127929688 4.18 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2939 214.034713745117 5480.310546875 7.77 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2940 230.111846923828 3778.5263671875 5.36 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2941 269.040222167969 2981.3544921875 4.23 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2942 287.050201416016 70541.3828125 100 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2943 304.021636962891 2973.06982421875 4.21 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2944 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2945 RECORD_TITLE: MZ:292.1947 | RT:44.8 | grpid:346 | file:NA |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2946 MS$FOCUSED_ION: PRECURSOR_M/Z 292.194651731624 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2947 AC$CHROMATOGRAPHY: RETENTION_TIME 44.7995376 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2948 XCMS groupid (grpid): 346 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2949 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2950 PK$NUM_PEAK: 17 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2951 PK$PEAK: m/z int. rel.int. |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2952 112.08748626709 146886.8125 0.82 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2953 112.094039916992 21488.705078125 0.12 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2954 113.071746826172 19570.8203125 0.11 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2955 114.102615356445 20782.029296875 0.12 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2956 115.087265014648 22572.4765625 0.13 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2957 116.070877075195 1167010.625 6.51 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2958 118.086471557617 17936758 100 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2959 130.088272094727 18935.30078125 0.11 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2960 130.097534179688 535976.9375 2.99 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2961 157.108123779297 159862.4375 0.89 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2962 158.092407226562 499801.9375 2.79 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2963 173.093551635742 16882.005859375 0.09 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2964 175.118896484375 6728599.5 37.51 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2965 248.061279296875 26782.0078125 0.15 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2966 287.312866210938 15858.4033203125 0.09 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2967 303.088562011719 14864.9921875 0.08 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2968 309.474395751953 14699.423828125 0.08 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2969 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2970 RECORD_TITLE: MZ:292.1947 | RT:44.8 | grpid:346 | file:NA |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2971 MS$FOCUSED_ION: PRECURSOR_M/Z 292.194651731624 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2972 AC$CHROMATOGRAPHY: RETENTION_TIME 44.7995376 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2973 XCMS groupid (grpid): 346 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2974 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2975 PK$NUM_PEAK: 17 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2976 PK$PEAK: m/z int. rel.int. |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2977 112.08748626709 146886.8125 0.82 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2978 112.094039916992 21488.705078125 0.12 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2979 113.071746826172 19570.8203125 0.11 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2980 114.102615356445 20782.029296875 0.12 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2981 115.087265014648 22572.4765625 0.13 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2982 116.070877075195 1167010.625 6.51 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2983 118.086471557617 17936758 100 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2984 130.088272094727 18935.30078125 0.11 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2985 130.097534179688 535976.9375 2.99 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2986 157.108123779297 159862.4375 0.89 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2987 158.092407226562 499801.9375 2.79 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2988 173.093551635742 16882.005859375 0.09 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2989 175.118896484375 6728599.5 37.51 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2990 248.061279296875 26782.0078125 0.15 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2991 287.312866210938 15858.4033203125 0.09 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2992 303.088562011719 14864.9921875 0.08 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2993 309.474395751953 14699.423828125 0.08 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2994 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2995 RECORD_TITLE: MZ:294.1544 | RT:92.7 | grpid:350 | file:NA |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2996 MS$FOCUSED_ION: PRECURSOR_M/Z 294.154362544209 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2997 AC$CHROMATOGRAPHY: RETENTION_TIME 92.725812 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2998 XCMS groupid (grpid): 350 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
2999 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3000 PK$NUM_PEAK: 27 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3001 PK$PEAK: m/z int. rel.int. |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3002 100.03960609436 9276.67614746094 2.06 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3003 100.112558364868 5085.96807861328 1.13 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3004 112.039535522461 31905.9140625 7.1 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3005 116.10737991333 19017.9599609375 4.23 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3006 127.039184570312 61312.3046875 13.64 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3007 128.107173919678 48088.845703125 10.7 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3008 132.102043151855 81967.8308105469 18.23 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3009 138.054847717285 10972.2520751953 2.44 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3010 140.106895446777 12682.8193359375 2.82 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3011 143.057613372803 45699.3813476562 10.17 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3012 144.101860046387 65823.060546875 14.64 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3013 145.049575805664 11691.1761474609 2.6 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3014 152.107192993164 4579.73913574219 1.02 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3015 156.065517425537 8963.49682617188 1.99 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3016 161.068229675293 45802.732421875 10.19 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3017 164.107097625732 22581.4462890625 5.02 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3018 168.101871490479 15852.8640136719 3.53 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3019 170.117382049561 16398.6947021484 3.65 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3020 182.117725372314 8521.89721679688 1.9 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3021 194.117515563965 11225.3619384766 2.5 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3022 210.112678527832 30927.3896484375 6.88 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3023 212.128120422363 113259.09375 25.19 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3024 230.138618469238 449533.796875 100 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3025 248.149139404297 51439.48828125 11.44 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3026 258.133453369141 262517.1796875 58.4 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3027 276.143997192383 282184.421875 62.77 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3028 294.143478393555 9554.22521972656 2.13 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3029 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3030 RECORD_TITLE: MZ:294.1544 | RT:92.7 | grpid:350 | file:NA |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3031 MS$FOCUSED_ION: PRECURSOR_M/Z 294.154362544209 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3032 AC$CHROMATOGRAPHY: RETENTION_TIME 92.725812 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3033 XCMS groupid (grpid): 350 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3034 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3035 PK$NUM_PEAK: 27 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3036 PK$PEAK: m/z int. rel.int. |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3037 100.03960609436 9276.67614746094 2.06 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3038 100.112558364868 5085.96807861328 1.13 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3039 112.039535522461 31905.9140625 7.1 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3040 116.10737991333 19017.9599609375 4.23 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3041 127.039184570312 61312.3046875 13.64 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3042 128.107173919678 48088.845703125 10.7 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3043 132.102043151855 81967.8308105469 18.23 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3044 138.054847717285 10972.2520751953 2.44 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3045 140.106895446777 12682.8193359375 2.82 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3046 143.057613372803 45699.3813476562 10.17 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3047 144.101860046387 65823.060546875 14.64 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3048 145.049575805664 11691.1761474609 2.6 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3049 152.107192993164 4579.73913574219 1.02 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3050 156.065517425537 8963.49682617188 1.99 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3051 161.068229675293 45802.732421875 10.19 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3052 164.107097625732 22581.4462890625 5.02 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3053 168.101871490479 15852.8640136719 3.53 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3054 170.117382049561 16398.6947021484 3.65 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3055 182.117725372314 8521.89721679688 1.9 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3056 194.117515563965 11225.3619384766 2.5 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3057 210.112678527832 30927.3896484375 6.88 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3058 212.128120422363 113259.09375 25.19 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3059 230.138618469238 449533.796875 100 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3060 248.149139404297 51439.48828125 11.44 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3061 258.133453369141 262517.1796875 58.4 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3062 276.143997192383 282184.421875 62.77 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3063 294.143478393555 9554.22521972656 2.13 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3064 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3065 RECORD_TITLE: MZ:295.1284 | RT:76.5 | grpid:353 | file:NA |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3066 MS$FOCUSED_ION: PRECURSOR_M/Z 295.128370886131 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3067 AC$CHROMATOGRAPHY: RETENTION_TIME 76.520544 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3068 XCMS groupid (grpid): 353 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3069 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3070 PK$NUM_PEAK: 17 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3071 PK$PEAK: m/z int. rel.int. |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3072 102.055332183838 142006.7578125 1.76 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3073 103.047687530518 8375.70458984375 0.1 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3074 103.054668426514 268094.84375 3.32 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3075 120.080982208252 8079321.5 100 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3076 130.049942016602 198549.390625 2.46 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3077 131.049301147461 36250.283203125 0.45 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3078 138.368667602539 5218.921875 0.06 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3079 148.060356140137 534186.1875 6.61 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3080 148.891082763672 5547.021484375 0.07 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3081 177.852951049805 5688.75244140625 0.07 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3082 186.091201782227 6964.56787109375 0.09 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3083 249.123100280762 17289.486328125 0.21 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3084 256.870849609375 6559.6240234375 0.08 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3085 260.092071533203 5487.70556640625 0.07 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3086 277.120513916016 6250.375 0.08 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3087 288.727630615234 5923.0712890625 0.07 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3088 295.128723144531 58788.61328125 0.73 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3089 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3090 RECORD_TITLE: MZ:295.1284 | RT:76.5 | grpid:353 | file:NA |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3091 MS$FOCUSED_ION: PRECURSOR_M/Z 295.128370886131 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3092 AC$CHROMATOGRAPHY: RETENTION_TIME 76.520544 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3093 XCMS groupid (grpid): 353 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3094 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3095 PK$NUM_PEAK: 17 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3096 PK$PEAK: m/z int. rel.int. |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3097 102.055332183838 142006.7578125 1.76 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3098 103.047687530518 8375.70458984375 0.1 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3099 103.054668426514 268094.84375 3.32 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3100 120.080982208252 8079321.5 100 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3101 130.049942016602 198549.390625 2.46 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3102 131.049301147461 36250.283203125 0.45 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3103 138.368667602539 5218.921875 0.06 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3104 148.060356140137 534186.1875 6.61 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3105 148.891082763672 5547.021484375 0.07 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3106 177.852951049805 5688.75244140625 0.07 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3107 186.091201782227 6964.56787109375 0.09 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3108 249.123100280762 17289.486328125 0.21 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3109 256.870849609375 6559.6240234375 0.08 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3110 260.092071533203 5487.70556640625 0.07 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3111 277.120513916016 6250.375 0.08 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3112 288.727630615234 5923.0712890625 0.07 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3113 295.128723144531 58788.61328125 0.73 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3114 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3115 RECORD_TITLE: MZ:296.0658 | RT:42.4 | grpid:354 | file:NA |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3116 MS$FOCUSED_ION: PRECURSOR_M/Z 296.065756003644 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3117 AC$CHROMATOGRAPHY: RETENTION_TIME 42.4292958 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3118 XCMS groupid (grpid): 354 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3119 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3120 PK$NUM_PEAK: 63 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3121 PK$PEAK: m/z int. rel.int. |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3122 102.501098632812 2634.53149414062 1.65 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3123 103.752471923828 3372.3203125 2.11 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3124 104.107429504395 52046.037109375 32.57 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3125 104.779418945312 2619.09838867188 1.64 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3126 105.110206604004 4535.83447265625 2.84 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3127 110.071598052979 51516.23046875 32.24 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3128 115.257781982422 2642.28344726562 1.65 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3129 116.04727935791 24896.80078125 15.58 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3130 118.906105041504 2871.60009765625 1.8 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3131 119.049240112305 42550.78515625 26.63 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3132 120.003589630127 9061.71264648438 5.67 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3133 121.065811157227 4205.6630859375 2.63 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3134 123.053497314453 3491.818359375 2.19 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3135 124.03678894043 3061.91870117188 1.92 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3136 124.959274291992 3187.64526367188 1.99 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3137 128.03190612793 11512.23828125 7.2 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3138 130.049224853516 2935.35913085938 1.84 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3139 133.762710571289 3047.94458007812 1.91 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3140 134.01887512207 106217.15625 66.47 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3141 136.075775146484 159790.208984375 100 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3142 136.085235595703 3742.28735351562 2.34 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3143 137.079330444336 24230.166015625 15.16 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3144 151.047775268555 36674.7578125 22.95 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3145 151.083587646484 11767.1416015625 7.36 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3146 151.084808349609 5592.81689453125 3.5 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3147 152.031753540039 35819.25 22.42 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3148 156.077331542969 11290.4443359375 7.07 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3149 160.036758422852 33066.51953125 20.69 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3150 164.930152893066 28944.359375 18.11 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3151 168.170883178711 2864.22802734375 1.79 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3152 169.058418273926 38966.01171875 24.39 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3153 169.094543457031 6104.97998046875 3.82 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3154 169.885345458984 2605.5 1.63 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3155 170.042297363281 3210.34887695312 2.01 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3156 170.32341003418 2779.20581054688 1.74 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3157 177.031875610352 2798.62231445312 1.75 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3158 178.946014404297 3806.83520507812 2.38 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3159 180.001739501953 3172.265625 1.99 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3160 180.903884887695 14926.0913085938 9.34 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3161 181.108383178711 12241.56640625 7.66 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3162 191.078903198242 3137.82885742188 1.96 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3163 196.959823608398 2773.84155273438 1.74 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3164 197.080413818359 3280.55688476562 2.05 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3165 209.103637695312 5807.6396484375 3.63 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3166 211.106033325195 3517.22680664062 2.2 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3167 229.070083618164 5290.5830078125 3.31 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3168 229.981872558594 2980.67016601562 1.87 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3169 233.934051513672 3479.39086914062 2.18 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3170 235.103302001953 3239.46142578125 2.03 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3171 238.989120483398 22953.4921875 14.36 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3172 238.991271972656 14557.9658203125 9.11 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3173 253.0791015625 5362.046875 3.36 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3174 263.061492919922 3608.7255859375 2.26 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3175 274.146240234375 3613.0380859375 2.26 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3176 280.089813232422 7840.12280273438 4.91 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3177 280.127960205078 4497.24267578125 2.81 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3178 281.073699951172 8634.50512695312 5.4 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3179 297.119445800781 5748.119140625 3.6 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3180 298.06755065918 7433.56958007812 4.65 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3181 298.096527099609 23370.763671875 14.63 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3182 298.100677490234 33910.890625 21.22 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3183 298.133453369141 5547.06982421875 3.47 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3184 298.135314941406 24276.166015625 15.19 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3185 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3186 RECORD_TITLE: MZ:296.0658 | RT:42.4 | grpid:354 | file:NA |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3187 MS$FOCUSED_ION: PRECURSOR_M/Z 296.065756003644 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3188 AC$CHROMATOGRAPHY: RETENTION_TIME 42.4292958 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3189 XCMS groupid (grpid): 354 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3190 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3191 PK$NUM_PEAK: 63 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3192 PK$PEAK: m/z int. rel.int. |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3193 102.501098632812 2634.53149414062 1.65 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3194 103.752471923828 3372.3203125 2.11 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3195 104.107429504395 52046.037109375 32.57 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3196 104.779418945312 2619.09838867188 1.64 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3197 105.110206604004 4535.83447265625 2.84 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3198 110.071598052979 51516.23046875 32.24 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3199 115.257781982422 2642.28344726562 1.65 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3200 116.04727935791 24896.80078125 15.58 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3201 118.906105041504 2871.60009765625 1.8 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3202 119.049240112305 42550.78515625 26.63 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3203 120.003589630127 9061.71264648438 5.67 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3204 121.065811157227 4205.6630859375 2.63 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3205 123.053497314453 3491.818359375 2.19 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3206 124.03678894043 3061.91870117188 1.92 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3207 124.959274291992 3187.64526367188 1.99 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3208 128.03190612793 11512.23828125 7.2 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3209 130.049224853516 2935.35913085938 1.84 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3210 133.762710571289 3047.94458007812 1.91 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3211 134.01887512207 106217.15625 66.47 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3212 136.075775146484 159790.208984375 100 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3213 136.085235595703 3742.28735351562 2.34 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3214 137.079330444336 24230.166015625 15.16 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3215 151.047775268555 36674.7578125 22.95 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3216 151.083587646484 11767.1416015625 7.36 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3217 151.084808349609 5592.81689453125 3.5 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3218 152.031753540039 35819.25 22.42 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3219 156.077331542969 11290.4443359375 7.07 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3220 160.036758422852 33066.51953125 20.69 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3221 164.930152893066 28944.359375 18.11 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3222 168.170883178711 2864.22802734375 1.79 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3223 169.058418273926 38966.01171875 24.39 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3224 169.094543457031 6104.97998046875 3.82 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3225 169.885345458984 2605.5 1.63 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3226 170.042297363281 3210.34887695312 2.01 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3227 170.32341003418 2779.20581054688 1.74 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3228 177.031875610352 2798.62231445312 1.75 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3229 178.946014404297 3806.83520507812 2.38 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3230 180.001739501953 3172.265625 1.99 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3231 180.903884887695 14926.0913085938 9.34 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3232 181.108383178711 12241.56640625 7.66 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3233 191.078903198242 3137.82885742188 1.96 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3234 196.959823608398 2773.84155273438 1.74 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3235 197.080413818359 3280.55688476562 2.05 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3236 209.103637695312 5807.6396484375 3.63 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3237 211.106033325195 3517.22680664062 2.2 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3238 229.070083618164 5290.5830078125 3.31 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3239 229.981872558594 2980.67016601562 1.87 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3240 233.934051513672 3479.39086914062 2.18 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3241 235.103302001953 3239.46142578125 2.03 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3242 238.989120483398 22953.4921875 14.36 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3243 238.991271972656 14557.9658203125 9.11 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3244 253.0791015625 5362.046875 3.36 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3245 263.061492919922 3608.7255859375 2.26 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3246 274.146240234375 3613.0380859375 2.26 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3247 280.089813232422 7840.12280273438 4.91 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3248 280.127960205078 4497.24267578125 2.81 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3249 281.073699951172 8634.50512695312 5.4 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3250 297.119445800781 5748.119140625 3.6 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3251 298.06755065918 7433.56958007812 4.65 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3252 298.096527099609 23370.763671875 14.63 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3253 298.100677490234 33910.890625 21.22 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3254 298.133453369141 5547.06982421875 3.47 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3255 298.135314941406 24276.166015625 15.19 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3256 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3257 RECORD_TITLE: MZ:302.1706 | RT:88.9 | grpid:369 | file:NA |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3258 MS$FOCUSED_ION: PRECURSOR_M/Z 302.170645577843 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3259 AC$CHROMATOGRAPHY: RETENTION_TIME 88.866054 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3260 XCMS groupid (grpid): 369 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3261 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3262 PK$NUM_PEAK: 31 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3263 PK$PEAK: m/z int. rel.int. |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3264 106.602005004883 2616.6298828125 0.8 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3265 107.888076782227 2649.7861328125 0.81 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3266 111.092044830322 3689.33081054688 1.12 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3267 111.537490844727 2589.2255859375 0.79 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3268 114.091567993164 2964.439453125 0.9 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3269 116.070913314819 328781.30078125 100 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3270 120.955596923828 2879.787109375 0.88 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3271 123.994163513184 2919.2646484375 0.89 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3272 128.070510864258 3172.29931640625 0.96 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3273 144.715606689453 2890.23486328125 0.88 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3274 144.969955444336 3509.31982421875 1.07 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3275 146.728607177734 3216.869140625 0.98 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3276 157.096328735352 2906.3671875 0.88 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3277 159.112747192383 50716.41015625 15.43 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3278 161.510787963867 2920.07788085938 0.89 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3279 163.092956542969 2640.06762695312 0.8 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3280 167.081359863281 4142.51013183594 1.26 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3281 167.082427978516 3902.92211914062 1.19 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3282 171.07633972168 4355.65686035156 1.32 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3283 185.092491149902 8787.03210449219 2.67 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3284 185.409088134766 2896.890625 0.88 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3285 187.107933044434 20513.3881835938 6.24 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3286 188.189697265625 3081.72094726562 0.94 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3287 189.086318969727 22890.203125 6.96 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3288 203.102596282959 89666.2578125 27.27 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3289 207.951904296875 2900.83618164062 0.88 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3290 213.085845947266 4722.02392578125 1.44 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3291 213.08731842041 6687.3125 2.03 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3292 218.32536315918 3366.72143554688 1.02 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3293 269.900512695312 3120.37036132812 0.95 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3294 284.158935546875 3037.86303710938 0.92 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3295 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3296 RECORD_TITLE: MZ:302.1706 | RT:88.9 | grpid:369 | file:NA |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3297 MS$FOCUSED_ION: PRECURSOR_M/Z 302.170645577843 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3298 AC$CHROMATOGRAPHY: RETENTION_TIME 88.866054 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3299 XCMS groupid (grpid): 369 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3300 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3301 PK$NUM_PEAK: 31 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3302 PK$PEAK: m/z int. rel.int. |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3303 106.602005004883 2616.6298828125 0.8 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3304 107.888076782227 2649.7861328125 0.81 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3305 111.092044830322 3689.33081054688 1.12 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3306 111.537490844727 2589.2255859375 0.79 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3307 114.091567993164 2964.439453125 0.9 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3308 116.070913314819 328781.30078125 100 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3309 120.955596923828 2879.787109375 0.88 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3310 123.994163513184 2919.2646484375 0.89 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3311 128.070510864258 3172.29931640625 0.96 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3312 144.715606689453 2890.23486328125 0.88 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3313 144.969955444336 3509.31982421875 1.07 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3314 146.728607177734 3216.869140625 0.98 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3315 157.096328735352 2906.3671875 0.88 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3316 159.112747192383 50716.41015625 15.43 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3317 161.510787963867 2920.07788085938 0.89 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3318 163.092956542969 2640.06762695312 0.8 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3319 167.081359863281 4142.51013183594 1.26 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3320 167.082427978516 3902.92211914062 1.19 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3321 171.07633972168 4355.65686035156 1.32 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3322 185.092491149902 8787.03210449219 2.67 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3323 185.409088134766 2896.890625 0.88 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3324 187.107933044434 20513.3881835938 6.24 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3325 188.189697265625 3081.72094726562 0.94 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3326 189.086318969727 22890.203125 6.96 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3327 203.102596282959 89666.2578125 27.27 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3328 207.951904296875 2900.83618164062 0.88 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3329 213.085845947266 4722.02392578125 1.44 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3330 213.08731842041 6687.3125 2.03 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3331 218.32536315918 3366.72143554688 1.02 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3332 269.900512695312 3120.37036132812 0.95 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3333 284.158935546875 3037.86303710938 0.92 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3334 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3335 RECORD_TITLE: MZ:303.1651 | RT:61.4 | grpid:373 | file:NA |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3336 MS$FOCUSED_ION: PRECURSOR_M/Z 303.165091499144 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3337 AC$CHROMATOGRAPHY: RETENTION_TIME 61.39704 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3338 XCMS groupid (grpid): 373 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3339 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3340 PK$NUM_PEAK: 46 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3341 PK$PEAK: m/z int. rel.int. |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3342 101.071437835693 18061.404296875 14.64 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3343 110.023998260498 52000.6274414062 42.15 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3344 110.071678161621 4078.85327148438 3.31 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3345 113.108039855957 4713.57666015625 3.82 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3346 124.03946685791 13353.3503417969 10.82 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3347 124.075775146484 4389.90283203125 3.56 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3348 127.050146102905 6563.51354980469 5.32 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3349 129.065963745117 4180.9111328125 3.39 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3350 129.10258102417 12015.9108886719 9.74 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3351 130.049957275391 123366.5 100 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3352 131.045059204102 29113.298828125 23.6 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3353 131.118392944336 12747.1845703125 10.33 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3354 138.091529846191 16503.9543457031 13.38 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3355 141.065864562988 13463.4323730469 10.91 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3356 141.102428436279 25872.9306640625 20.97 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3357 143.118049621582 114683.799316406 92.96 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3358 147.076400756836 62051.40625 50.3 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3359 152.033843994141 5171.01904296875 4.19 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3360 152.070327758789 4126.0048828125 3.34 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3361 155.045360565186 6583.79321289062 5.34 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3362 155.118072509766 7309.53900146484 5.93 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3363 156.029037475586 113651.671875 92.13 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3364 157.097305297852 11774.015625 9.54 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3365 158.092620849609 18440.1302490234 14.95 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3366 169.06086730957 9058.74169921875 7.34 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3367 169.234603881836 2946.80346679688 2.39 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3368 170.044723510742 57504.55078125 46.61 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3369 171.112854003906 12748.3640136719 10.33 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3370 172.071979522705 11317.8649902344 9.17 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3371 173.055679321289 109214.0390625 88.53 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3372 182.128730773926 32297.4630126953 26.18 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3373 183.112915039062 74432.189453125 60.33 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3374 186.087818145752 7772.79504394531 6.3 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3375 187.071319580078 66795.359375 54.14 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3376 190.082260131836 98184.53125 79.59 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3377 199.107223510742 8201.62841796875 6.65 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3378 200.139831542969 11876.6729736328 9.63 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3379 204.097839355469 68957.71875 55.9 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3380 211.107936859131 18790.6638183594 15.23 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3381 223.107292175293 15609.9038085938 12.65 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3382 224.080169677734 4738.3037109375 3.84 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3383 226.79020690918 3202.00537109375 2.6 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3384 228.13493347168 14781.4248046875 11.98 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3385 258.145233154297 13773.197265625 11.16 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3386 261.076416015625 4368.72607421875 3.54 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3387 285.155242919922 5692.4150390625 4.61 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3388 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3389 RECORD_TITLE: MZ:303.1651 | RT:61.4 | grpid:373 | file:NA |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3390 MS$FOCUSED_ION: PRECURSOR_M/Z 303.165091499144 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3391 AC$CHROMATOGRAPHY: RETENTION_TIME 61.39704 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3392 XCMS groupid (grpid): 373 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3393 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3394 PK$NUM_PEAK: 46 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3395 PK$PEAK: m/z int. rel.int. |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3396 101.071437835693 18061.404296875 14.64 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3397 110.023998260498 52000.6274414062 42.15 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3398 110.071678161621 4078.85327148438 3.31 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3399 113.108039855957 4713.57666015625 3.82 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3400 124.03946685791 13353.3503417969 10.82 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3401 124.075775146484 4389.90283203125 3.56 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3402 127.050146102905 6563.51354980469 5.32 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3403 129.065963745117 4180.9111328125 3.39 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3404 129.10258102417 12015.9108886719 9.74 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3405 130.049957275391 123366.5 100 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3406 131.045059204102 29113.298828125 23.6 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3407 131.118392944336 12747.1845703125 10.33 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3408 138.091529846191 16503.9543457031 13.38 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3409 141.065864562988 13463.4323730469 10.91 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3410 141.102428436279 25872.9306640625 20.97 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3411 143.118049621582 114683.799316406 92.96 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3412 147.076400756836 62051.40625 50.3 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3413 152.033843994141 5171.01904296875 4.19 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3414 152.070327758789 4126.0048828125 3.34 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3415 155.045360565186 6583.79321289062 5.34 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3416 155.118072509766 7309.53900146484 5.93 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3417 156.029037475586 113651.671875 92.13 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3418 157.097305297852 11774.015625 9.54 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3419 158.092620849609 18440.1302490234 14.95 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3420 169.06086730957 9058.74169921875 7.34 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3421 169.234603881836 2946.80346679688 2.39 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3422 170.044723510742 57504.55078125 46.61 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3423 171.112854003906 12748.3640136719 10.33 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3424 172.071979522705 11317.8649902344 9.17 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3425 173.055679321289 109214.0390625 88.53 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3426 182.128730773926 32297.4630126953 26.18 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3427 183.112915039062 74432.189453125 60.33 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3428 186.087818145752 7772.79504394531 6.3 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3429 187.071319580078 66795.359375 54.14 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3430 190.082260131836 98184.53125 79.59 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3431 199.107223510742 8201.62841796875 6.65 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3432 200.139831542969 11876.6729736328 9.63 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3433 204.097839355469 68957.71875 55.9 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3434 211.107936859131 18790.6638183594 15.23 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3435 223.107292175293 15609.9038085938 12.65 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3436 224.080169677734 4738.3037109375 3.84 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3437 226.79020690918 3202.00537109375 2.6 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3438 228.13493347168 14781.4248046875 11.98 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3439 258.145233154297 13773.197265625 11.16 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3440 261.076416015625 4368.72607421875 3.54 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3441 285.155242919922 5692.4150390625 4.61 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3442 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3443 RECORD_TITLE: MZ:306.1653 | RT:60.6 | grpid:379 | file:NA |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3444 MS$FOCUSED_ION: PRECURSOR_M/Z 306.165343359271 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3445 AC$CHROMATOGRAPHY: RETENTION_TIME 60.634806 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3446 XCMS groupid (grpid): 379 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3447 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3448 PK$NUM_PEAK: 39 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3449 PK$PEAK: m/z int. rel.int. |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3450 102.055488586426 3576.6201171875 2.29 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3451 106.050338745117 60478.6015625 38.68 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3452 112.64949798584 2889.20166015625 1.85 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3453 114.09162902832 24265.951171875 15.52 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3454 116.034889221191 3464.34204101562 2.22 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3455 116.070892333984 42441.279296875 27.14 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3456 118.086521148682 12694.5551757812 8.12 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3457 120.065841674805 5843.3857421875 3.74 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3458 125.10701751709 6236.45361328125 3.99 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3459 125.107727050781 4460.64892578125 2.85 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3460 143.08162689209 16575.1611328125 10.6 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3461 145.061111450195 4047.91162109375 2.59 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3462 155.118011474609 5382.689453125 3.44 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3463 155.11897277832 3734.548828125 2.39 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3464 157.060935974121 24250.25 15.51 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3465 159.112808227539 156353.765625 100 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3466 159.113739013672 3697.47241210938 2.36 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3467 161.092155456543 34923.1943359375 22.34 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3468 166.177749633789 2888.244140625 1.85 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3469 171.077407836914 4816.36328125 3.08 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3470 173.128448486328 89239.515625 57.08 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3471 175.071128845215 43445.947265625 27.79 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3472 183.112617492676 4955.513671875 3.17 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3473 187.107650756836 12120.2392578125 7.75 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3474 189.087104797363 19462.6240234375 12.45 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3475 193.081977844238 92993.50390625 59.48 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3476 198.921890258789 3008.00170898438 1.92 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3477 201.123252868652 39084.212890625 25 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3478 202.244415283203 3381.41357421875 2.16 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3479 205.11808013916 20551.8833007812 13.14 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3480 207.097396850586 3845.00024414062 2.46 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3481 208.270767211914 3350.55541992188 2.14 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3482 219.135238647461 3163.32836914062 2.02 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3483 255.378860473633 3034.83129882812 1.94 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3484 270.143188476562 3606.33642578125 2.31 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3485 276.966583251953 3468.1474609375 2.22 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3486 304.058044433594 3342.54663085938 2.14 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3487 304.39501953125 3399.11840820312 2.17 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3488 309.902038574219 3108.3212890625 1.99 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3489 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3490 RECORD_TITLE: MZ:306.1653 | RT:60.6 | grpid:379 | file:NA |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3491 MS$FOCUSED_ION: PRECURSOR_M/Z 306.165343359271 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3492 AC$CHROMATOGRAPHY: RETENTION_TIME 60.634806 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3493 XCMS groupid (grpid): 379 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3494 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3495 PK$NUM_PEAK: 39 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3496 PK$PEAK: m/z int. rel.int. |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3497 102.055488586426 3576.6201171875 2.29 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3498 106.050338745117 60478.6015625 38.68 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3499 112.64949798584 2889.20166015625 1.85 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3500 114.09162902832 24265.951171875 15.52 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3501 116.034889221191 3464.34204101562 2.22 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3502 116.070892333984 42441.279296875 27.14 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3503 118.086521148682 12694.5551757812 8.12 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3504 120.065841674805 5843.3857421875 3.74 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3505 125.10701751709 6236.45361328125 3.99 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3506 125.107727050781 4460.64892578125 2.85 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3507 143.08162689209 16575.1611328125 10.6 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3508 145.061111450195 4047.91162109375 2.59 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3509 155.118011474609 5382.689453125 3.44 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3510 155.11897277832 3734.548828125 2.39 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3511 157.060935974121 24250.25 15.51 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3512 159.112808227539 156353.765625 100 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3513 159.113739013672 3697.47241210938 2.36 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3514 161.092155456543 34923.1943359375 22.34 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3515 166.177749633789 2888.244140625 1.85 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3516 171.077407836914 4816.36328125 3.08 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3517 173.128448486328 89239.515625 57.08 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3518 175.071128845215 43445.947265625 27.79 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3519 183.112617492676 4955.513671875 3.17 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3520 187.107650756836 12120.2392578125 7.75 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3521 189.087104797363 19462.6240234375 12.45 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3522 193.081977844238 92993.50390625 59.48 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3523 198.921890258789 3008.00170898438 1.92 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3524 201.123252868652 39084.212890625 25 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3525 202.244415283203 3381.41357421875 2.16 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3526 205.11808013916 20551.8833007812 13.14 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3527 207.097396850586 3845.00024414062 2.46 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3528 208.270767211914 3350.55541992188 2.14 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3529 219.135238647461 3163.32836914062 2.02 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3530 255.378860473633 3034.83129882812 1.94 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3531 270.143188476562 3606.33642578125 2.31 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3532 276.966583251953 3468.1474609375 2.22 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3533 304.058044433594 3342.54663085938 2.14 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3534 304.39501953125 3399.11840820312 2.17 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3535 309.902038574219 3108.3212890625 1.99 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3536 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3537 RECORD_TITLE: MZ:307.0652 | RT:83.4 | grpid:381 | file:NA |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3538 MS$FOCUSED_ION: PRECURSOR_M/Z 307.065221870812 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3539 AC$CHROMATOGRAPHY: RETENTION_TIME 83.441172 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3540 XCMS groupid (grpid): 381 |
|
ca0ac330f1a4
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_inter' msPurity version:1.11.0 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3542 PK$NUM_PEAK: 14 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3543 PK$PEAK: m/z int. rel.int. |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3544 118.766929626465 2792.95947265625 0.21 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3545 133.049362182617 4987.00708007812 0.38 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3546 155.031463623047 6253.12939453125 0.48 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3547 155.032363891602 3902.88134765625 0.3 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3548 156.391296386719 3223.2578125 0.25 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3549 173.128509521484 4659.6298828125 0.36 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3550 174.131927490234 11407.2829589844 0.88 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3551 175.022644042969 1303447.25 100 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3552 193.032424926758 3446.2578125 0.26 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3553 193.298492431641 2871.95751953125 0.22 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3554 194.809097290039 2825.58129882812 0.22 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3555 216.04899597168 19431.1591796875 1.49 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3556 294.689575195312 3187.49096679688 0.24 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3557 307.064880371094 112655.33203125 8.64 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3558 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3559 RECORD_TITLE: MZ:307.0652 | RT:83.4 | grpid:381 | file:NA |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3560 MS$FOCUSED_ION: PRECURSOR_M/Z 307.065221870812 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3561 AC$CHROMATOGRAPHY: RETENTION_TIME 83.441172 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3562 XCMS groupid (grpid): 381 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3563 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3564 PK$NUM_PEAK: 14 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3565 PK$PEAK: m/z int. rel.int. |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3566 118.766929626465 2792.95947265625 0.21 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3567 133.049362182617 4987.00708007812 0.38 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3568 155.031463623047 6253.12939453125 0.48 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3569 155.032363891602 3902.88134765625 0.3 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3570 156.391296386719 3223.2578125 0.25 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3571 173.128509521484 4659.6298828125 0.36 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3572 174.131927490234 11407.2829589844 0.88 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3573 175.022644042969 1303447.25 100 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3574 193.032424926758 3446.2578125 0.26 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3575 193.298492431641 2871.95751953125 0.22 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3576 194.809097290039 2825.58129882812 0.22 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3577 216.04899597168 19431.1591796875 1.49 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3578 294.689575195312 3187.49096679688 0.24 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3579 307.064880371094 112655.33203125 8.64 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3580 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3581 RECORD_TITLE: MZ:310.1362 | RT:64.4 | grpid:390 | file:NA |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3582 MS$FOCUSED_ION: PRECURSOR_M/Z 310.136154574354 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3583 AC$CHROMATOGRAPHY: RETENTION_TIME 64.427298 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3584 XCMS groupid (grpid): 390 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3585 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3586 PK$NUM_PEAK: 51 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3587 PK$PEAK: m/z int. rel.int. |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3588 101.071449279785 48478.1953125 7.64 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3589 102.055252075195 7670.65087890625 1.21 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3590 107.049453735352 45553.19921875 7.18 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3591 110.155097961426 2676.5810546875 0.42 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3592 112.037281036377 85147.5859375 13.43 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3593 118.064765930176 5521.37060546875 0.87 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3594 119.049392700195 170980.6875 26.96 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3595 122.226097106934 2590.57788085938 0.41 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3596 128.505966186523 2817.84057617188 0.44 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3597 129.102386474609 19331.947265625 3.05 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3598 130.049987792969 634170.25 100 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3599 130.086410522461 27528.513671875 4.34 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3600 136.075668334961 334873.158447266 52.8 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3601 140.068290710449 10018.8166503906 1.58 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3602 142.047698974609 4177.8212890625 0.66 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3603 147.044296264648 79662.3125 12.56 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3604 147.076385498047 580076.5625 91.47 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3605 147.112426757812 29871.99609375 4.71 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3606 150.052665710449 61469.9375 9.69 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3607 150.443908691406 2979.03173828125 0.47 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3608 152.053649902344 6134.9091796875 0.97 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3609 161.502365112305 2828.345703125 0.45 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3610 164.070419311523 6033.85009765625 0.95 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3611 165.054351806641 4315.41455078125 0.68 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3612 171.076309204102 4954.19189453125 0.78 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3613 181.097259521484 39991.01171875 6.31 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3614 182.080657958984 3655.09594726562 0.58 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3615 195.074569702148 17532.904296875 2.76 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3616 202.086074829102 6956.16845703125 1.1 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3617 208.992401123047 3394.27856445312 0.54 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3618 211.104759216309 13888.5063476562 2.19 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3619 213.083847045898 15632.0244140625 2.46 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3620 221.125801086426 5436.90771484375 0.86 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3621 231.580581665039 2973.04028320312 0.47 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3622 234.454711914062 2736.16625976562 0.43 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3623 239.136528015137 118789.87890625 18.73 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3624 241.37614440918 3378.51806640625 0.53 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3625 245.100341796875 3069.955078125 0.48 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3626 248.093536376953 5122.92138671875 0.81 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3627 250.42936706543 2767.24926757812 0.44 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3628 258.075561523438 4643.25 0.73 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3629 266.110534667969 46120.03125 7.27 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3630 274.932250976562 3154.478515625 0.5 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3631 276.086181640625 35498.7421875 5.6 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3632 283.275482177734 3348.0849609375 0.53 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3633 292.165405273438 3616.77392578125 0.57 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3634 293.112335205078 16164.1708984375 2.55 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3635 304.273651123047 2863.95190429688 0.45 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3636 310.14013671875 39121.29296875 6.17 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3637 310.17350769043 244785.870849609 38.6 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3638 332.187194824219 2774.29077148438 0.44 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3639 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3640 RECORD_TITLE: MZ:310.1362 | RT:64.4 | grpid:390 | file:NA |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3641 MS$FOCUSED_ION: PRECURSOR_M/Z 310.136154574354 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3642 AC$CHROMATOGRAPHY: RETENTION_TIME 64.427298 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3643 XCMS groupid (grpid): 390 |
|
ca0ac330f1a4
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_inter' msPurity version:1.11.0 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3645 PK$NUM_PEAK: 51 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3646 PK$PEAK: m/z int. rel.int. |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3647 101.071449279785 48478.1953125 7.64 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3648 102.055252075195 7670.65087890625 1.21 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3649 107.049453735352 45553.19921875 7.18 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3650 110.155097961426 2676.5810546875 0.42 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3651 112.037281036377 85147.5859375 13.43 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3652 118.064765930176 5521.37060546875 0.87 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3653 119.049392700195 170980.6875 26.96 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3654 122.226097106934 2590.57788085938 0.41 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3655 128.505966186523 2817.84057617188 0.44 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3656 129.102386474609 19331.947265625 3.05 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3657 130.049987792969 634170.25 100 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3658 130.086410522461 27528.513671875 4.34 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3659 136.075668334961 334873.158447266 52.8 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3660 140.068290710449 10018.8166503906 1.58 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3661 142.047698974609 4177.8212890625 0.66 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3662 147.044296264648 79662.3125 12.56 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3663 147.076385498047 580076.5625 91.47 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3664 147.112426757812 29871.99609375 4.71 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3665 150.052665710449 61469.9375 9.69 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3666 150.443908691406 2979.03173828125 0.47 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3667 152.053649902344 6134.9091796875 0.97 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3668 161.502365112305 2828.345703125 0.45 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3669 164.070419311523 6033.85009765625 0.95 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3670 165.054351806641 4315.41455078125 0.68 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3671 171.076309204102 4954.19189453125 0.78 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3672 181.097259521484 39991.01171875 6.31 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3673 182.080657958984 3655.09594726562 0.58 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3674 195.074569702148 17532.904296875 2.76 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3675 202.086074829102 6956.16845703125 1.1 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3676 208.992401123047 3394.27856445312 0.54 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3677 211.104759216309 13888.5063476562 2.19 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3678 213.083847045898 15632.0244140625 2.46 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3679 221.125801086426 5436.90771484375 0.86 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3680 231.580581665039 2973.04028320312 0.47 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3681 234.454711914062 2736.16625976562 0.43 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3682 239.136528015137 118789.87890625 18.73 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3683 241.37614440918 3378.51806640625 0.53 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3684 245.100341796875 3069.955078125 0.48 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3685 248.093536376953 5122.92138671875 0.81 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3686 250.42936706543 2767.24926757812 0.44 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3687 258.075561523438 4643.25 0.73 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3688 266.110534667969 46120.03125 7.27 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3689 274.932250976562 3154.478515625 0.5 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3690 276.086181640625 35498.7421875 5.6 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3691 283.275482177734 3348.0849609375 0.53 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3692 292.165405273438 3616.77392578125 0.57 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3693 293.112335205078 16164.1708984375 2.55 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3694 304.273651123047 2863.95190429688 0.45 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3695 310.14013671875 39121.29296875 6.17 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3696 310.17350769043 244785.870849609 38.6 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3697 332.187194824219 2774.29077148438 0.44 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3698 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3699 RECORD_TITLE: MZ:311.1234 | RT:60.6 | grpid:391 | file:NA |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3700 MS$FOCUSED_ION: PRECURSOR_M/Z 311.123379951208 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3701 AC$CHROMATOGRAPHY: RETENTION_TIME 60.634806 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3702 XCMS groupid (grpid): 391 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3703 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3704 PK$NUM_PEAK: 62 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3705 PK$PEAK: m/z int. rel.int. |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3706 102.048942565918 4303.8115234375 0.45 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3707 102.055358886719 49099.8896484375 5.08 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3708 103.05436706543 7600.23388671875 0.79 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3709 107.049310684204 11809.7557373047 1.22 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3710 109.065208435059 5418.91796875 0.56 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3711 114.61727142334 2876.46118164062 0.3 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3712 119.04940032959 179391.00390625 18.57 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3713 119.307312011719 3252.21557617188 0.34 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3714 120.052787780762 10326.5603027344 1.07 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3715 121.065071105957 11237.3334960938 1.16 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3716 123.044271469116 285969.004882812 29.6 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3717 125.071075439453 5314.79223632812 0.55 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3718 130.049911499023 158658.584960938 16.42 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3719 131.053672790527 29080.9599609375 3.01 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3720 134.996307373047 3666.89208984375 0.38 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3721 136.07572555542 966213.015625 100 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3722 137.060760498047 3881.92492675781 0.4 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3723 137.079208374023 93793.65625 9.71 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3724 147.043998718262 148454.690429688 15.36 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3725 147.076271057129 46299.0361328125 4.79 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3726 148.047470092773 6516.5263671875 0.67 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3727 148.060165405273 5060.16064453125 0.52 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3728 148.079872131348 27249.5419921875 2.82 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3729 148.084915161133 2965.43701171875 0.31 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3730 151.880661010742 4251.25390625 0.44 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3731 153.065826416016 16059.1528320312 1.66 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3732 155.041900634766 2950.26489257812 0.31 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3733 159.057067871094 2885.26391601562 0.3 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3734 165.040451049805 6191.5 0.64 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3735 165.054618835449 615694.97265625 63.72 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3736 166.294631958008 4826.2314453125 0.5 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3737 173.486709594727 3112.88696289062 0.32 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3738 176.294235229492 3482.40258789062 0.36 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3739 182.081188201904 353090.7734375 36.54 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3740 192.803115844727 2815.35791015625 0.29 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3741 202.086135864258 120572.661132812 12.48 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3742 202.100662231445 5722.71240234375 0.59 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3743 208.105644226074 6027.32958984375 0.62 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3744 212.064224243164 40951.513671875 4.24 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3745 212.546920776367 3294.35961914062 0.34 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3746 215.030548095703 2844.96044921875 0.29 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3747 219.112503051758 3053.4462890625 0.32 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3748 220.097061157227 4142.263671875 0.43 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3749 225.296691894531 3369.232421875 0.35 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3750 246.04460144043 4092.14892578125 0.42 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3751 247.107585906982 160139.884521484 16.57 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3752 248.09130859375 111737.50390625 11.56 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3753 248.334350585938 4942.72265625 0.51 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3754 250.001190185547 4457.26806640625 0.46 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3755 261.415008544922 3475.93676757812 0.36 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3756 266.758697509766 3608.98876953125 0.37 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3757 275.164428710938 4258.0537109375 0.44 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3758 290.621398925781 4374.6171875 0.45 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3759 293.112396240234 32461.78125 3.36 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3760 293.114105224609 29779.12890625 3.08 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3761 294.09651184082 75939.826171875 7.86 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3762 294.107330322266 3196.60620117188 0.33 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3763 297.643768310547 3068.45141601562 0.32 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3764 311.131500244141 43559.3193359375 4.51 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3765 311.137954711914 3476.56726074219 0.36 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3766 313.788848876953 3409.77734375 0.35 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3767 320.026641845703 3267.57104492188 0.34 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3768 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3769 RECORD_TITLE: MZ:311.1234 | RT:60.6 | grpid:391 | file:NA |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3770 MS$FOCUSED_ION: PRECURSOR_M/Z 311.123379951208 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3771 AC$CHROMATOGRAPHY: RETENTION_TIME 60.634806 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3772 XCMS groupid (grpid): 391 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3773 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3774 PK$NUM_PEAK: 62 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3775 PK$PEAK: m/z int. rel.int. |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3776 102.048942565918 4303.8115234375 0.45 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3777 102.055358886719 49099.8896484375 5.08 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3778 103.05436706543 7600.23388671875 0.79 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3779 107.049310684204 11809.7557373047 1.22 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3780 109.065208435059 5418.91796875 0.56 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3781 114.61727142334 2876.46118164062 0.3 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3782 119.04940032959 179391.00390625 18.57 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3783 119.307312011719 3252.21557617188 0.34 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3784 120.052787780762 10326.5603027344 1.07 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3785 121.065071105957 11237.3334960938 1.16 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3786 123.044271469116 285969.004882812 29.6 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3787 125.071075439453 5314.79223632812 0.55 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3788 130.049911499023 158658.584960938 16.42 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3789 131.053672790527 29080.9599609375 3.01 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3790 134.996307373047 3666.89208984375 0.38 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3791 136.07572555542 966213.015625 100 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3792 137.060760498047 3881.92492675781 0.4 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3793 137.079208374023 93793.65625 9.71 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3794 147.043998718262 148454.690429688 15.36 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3795 147.076271057129 46299.0361328125 4.79 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3796 148.047470092773 6516.5263671875 0.67 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3797 148.060165405273 5060.16064453125 0.52 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3798 148.079872131348 27249.5419921875 2.82 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3799 148.084915161133 2965.43701171875 0.31 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3800 151.880661010742 4251.25390625 0.44 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3801 153.065826416016 16059.1528320312 1.66 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3802 155.041900634766 2950.26489257812 0.31 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3803 159.057067871094 2885.26391601562 0.3 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3804 165.040451049805 6191.5 0.64 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3805 165.054618835449 615694.97265625 63.72 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3806 166.294631958008 4826.2314453125 0.5 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3807 173.486709594727 3112.88696289062 0.32 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3808 176.294235229492 3482.40258789062 0.36 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3809 182.081188201904 353090.7734375 36.54 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3810 192.803115844727 2815.35791015625 0.29 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3811 202.086135864258 120572.661132812 12.48 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3812 202.100662231445 5722.71240234375 0.59 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3813 208.105644226074 6027.32958984375 0.62 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3814 212.064224243164 40951.513671875 4.24 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3815 212.546920776367 3294.35961914062 0.34 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3816 215.030548095703 2844.96044921875 0.29 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3817 219.112503051758 3053.4462890625 0.32 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3818 220.097061157227 4142.263671875 0.43 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3819 225.296691894531 3369.232421875 0.35 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3820 246.04460144043 4092.14892578125 0.42 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3821 247.107585906982 160139.884521484 16.57 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3822 248.09130859375 111737.50390625 11.56 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3823 248.334350585938 4942.72265625 0.51 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3824 250.001190185547 4457.26806640625 0.46 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3825 261.415008544922 3475.93676757812 0.36 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3826 266.758697509766 3608.98876953125 0.37 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3827 275.164428710938 4258.0537109375 0.44 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3828 290.621398925781 4374.6171875 0.45 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3829 293.112396240234 32461.78125 3.36 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3830 293.114105224609 29779.12890625 3.08 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3831 294.09651184082 75939.826171875 7.86 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3832 294.107330322266 3196.60620117188 0.33 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3833 297.643768310547 3068.45141601562 0.32 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3834 311.131500244141 43559.3193359375 4.51 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3835 311.137954711914 3476.56726074219 0.36 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3836 313.788848876953 3409.77734375 0.35 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3837 320.026641845703 3267.57104492188 0.34 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3838 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3839 RECORD_TITLE: MZ:313.1745 | RT:70.5 | grpid:397 | file:NA |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3840 MS$FOCUSED_ION: PRECURSOR_M/Z 313.174482616203 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3841 AC$CHROMATOGRAPHY: RETENTION_TIME 70.461672 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3842 XCMS groupid (grpid): 397 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3843 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3844 PK$NUM_PEAK: 19 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3845 PK$PEAK: m/z int. rel.int. |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3846 101.525428771973 4244.95068359375 35.51 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3847 101.695213317871 3385.59912109375 28.32 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3848 119.048828125 4152.005859375 34.74 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3849 123.044132232666 3785.5224609375 31.67 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3850 124.907073974609 4038.091796875 33.78 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3851 126.253456115723 3662.13037109375 30.64 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3852 130.359146118164 3944.45581054688 33 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3853 136.075408935547 7209.80151367188 60.32 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3854 145.595932006836 3384.28491210938 28.31 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3855 150.716735839844 4027.36254882812 33.69 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3856 165.054832458496 11952.9467773438 100 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3857 182.080932617188 4217.93798828125 35.29 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3858 183.308929443359 3979.28833007812 33.29 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3859 190.214126586914 3634.75854492188 30.41 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3860 275.897308349609 4505.84912109375 37.7 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3861 285.324310302734 4988.541015625 41.73 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3862 313.157730102539 5351.81689453125 44.77 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3863 324.759063720703 3623.89794921875 30.32 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3864 329.386474609375 3902.72241210938 32.65 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3865 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3866 RECORD_TITLE: MZ:313.1745 | RT:70.5 | grpid:397 | file:NA |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3867 MS$FOCUSED_ION: PRECURSOR_M/Z 313.174482616203 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3868 AC$CHROMATOGRAPHY: RETENTION_TIME 70.461672 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3869 XCMS groupid (grpid): 397 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3870 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3871 PK$NUM_PEAK: 19 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3872 PK$PEAK: m/z int. rel.int. |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3873 101.525428771973 4244.95068359375 35.51 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3874 101.695213317871 3385.59912109375 28.32 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3875 119.048828125 4152.005859375 34.74 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3876 123.044132232666 3785.5224609375 31.67 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3877 124.907073974609 4038.091796875 33.78 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3878 126.253456115723 3662.13037109375 30.64 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3879 130.359146118164 3944.45581054688 33 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3880 136.075408935547 7209.80151367188 60.32 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3881 145.595932006836 3384.28491210938 28.31 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3882 150.716735839844 4027.36254882812 33.69 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3883 165.054832458496 11952.9467773438 100 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3884 182.080932617188 4217.93798828125 35.29 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3885 183.308929443359 3979.28833007812 33.29 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3886 190.214126586914 3634.75854492188 30.41 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3887 275.897308349609 4505.84912109375 37.7 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3888 285.324310302734 4988.541015625 41.73 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3889 313.157730102539 5351.81689453125 44.77 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3890 324.759063720703 3623.89794921875 30.32 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3891 329.386474609375 3902.72241210938 32.65 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3892 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3893 RECORD_TITLE: MZ:317.1788 | RT:69.2 | grpid:407 | file:NA |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3894 MS$FOCUSED_ION: PRECURSOR_M/Z 317.178762768594 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3895 AC$CHROMATOGRAPHY: RETENTION_TIME 69.154026 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3896 XCMS groupid (grpid): 407 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3897 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3898 PK$NUM_PEAK: 59 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3899 PK$PEAK: m/z int. rel.int. |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3900 100.000617980957 2764.93823242188 1.39 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3901 101.071342468262 52776.33203125 26.46 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3902 110.060340881348 24591.759765625 12.33 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3903 111.924682617188 2987.87060546875 1.5 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3904 113.071136474609 3521.54345703125 1.77 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3905 113.107749938965 4745.8115234375 2.38 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3906 116.03458404541 7157.07080078125 3.59 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3907 118.086532592773 152523.0625 76.46 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3908 124.039489746094 95420.796875 47.83 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3909 124.0751953125 5830.203125 2.92 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3910 125.355590820312 2952.05908203125 1.48 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3911 127.08674621582 14919.6650390625 7.48 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3912 129.065933227539 16939.873046875 8.49 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3913 129.102073669434 5174.90893554688 2.59 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3914 129.56950378418 3229.58862304688 1.62 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3915 131.118225097656 17803.7077636719 8.92 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3916 133.050811767578 7192.8984375 3.61 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3917 133.060806274414 179811.671875 90.14 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3918 138.091178894043 11768.0251464844 5.9 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3919 141.065505981445 5540.62353515625 2.78 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3920 141.102127075195 18097.263671875 9.07 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3921 141.112274169922 3000.49243164062 1.5 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3922 143.117965698242 4690.75146484375 2.35 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3923 145.060546875 39804.20703125 19.95 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3924 154.09748840332 199481.4375 100 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3925 154.110397338867 6653.892578125 3.34 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3926 155.015762329102 4930.830078125 2.47 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3927 155.081466674805 134560.96875 67.46 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3928 155.117683410645 9135.45166015625 4.58 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3929 155.152099609375 3026.45239257812 1.52 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3930 157.133438110352 94024.890625 47.13 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3931 158.092193603516 6244.7109375 3.13 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3932 169.060424804688 5067.861328125 2.54 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3933 170.044631958008 96956.9140625 48.6 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3934 172.10791015625 36266.9609375 18.18 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3935 178.415512084961 2798.56494140625 1.4 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3936 182.092483520508 98820.796875 49.54 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3937 182.128387451172 56813.08203125 28.48 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3938 183.076568603516 32172.50390625 16.13 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3939 183.112602233887 49895.705078125 25.01 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3940 185.128265380859 24880.546875 12.47 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3941 186.08716583252 24211.0078125 12.14 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3942 187.071311950684 88360.20703125 44.29 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3943 189.123641967773 17734.556640625 8.89 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3944 196.948913574219 2996.55834960938 1.5 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3945 200.103057861328 19847.759765625 9.95 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3946 200.139114379883 16344.5825195312 8.19 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3947 201.124221801758 4613.8994140625 2.31 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3948 204.097801208496 76574.49609375 38.39 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3949 208.096878051758 5119.6318359375 2.57 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3950 210.124572753906 14695.6591796875 7.37 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3951 211.107757568359 18789.5859375 9.42 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3952 225.123199462891 4797.7587890625 2.41 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3953 228.134841918945 26519.537109375 13.29 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3954 245.35807800293 3679.95971679688 1.84 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3955 255.133773803711 6747.7666015625 3.38 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3956 272.159423828125 10641.6845703125 5.33 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3957 299.171508789062 68947.8515625 34.56 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3958 317.116455078125 4209.64306640625 2.11 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3959 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3960 RECORD_TITLE: MZ:317.1788 | RT:69.2 | grpid:407 | file:NA |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3961 MS$FOCUSED_ION: PRECURSOR_M/Z 317.178762768594 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3962 AC$CHROMATOGRAPHY: RETENTION_TIME 69.154026 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3963 XCMS groupid (grpid): 407 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3964 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3965 PK$NUM_PEAK: 59 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3966 PK$PEAK: m/z int. rel.int. |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3967 100.000617980957 2764.93823242188 1.39 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3968 101.071342468262 52776.33203125 26.46 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3969 110.060340881348 24591.759765625 12.33 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3970 111.924682617188 2987.87060546875 1.5 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3971 113.071136474609 3521.54345703125 1.77 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3972 113.107749938965 4745.8115234375 2.38 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3973 116.03458404541 7157.07080078125 3.59 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3974 118.086532592773 152523.0625 76.46 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3975 124.039489746094 95420.796875 47.83 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3976 124.0751953125 5830.203125 2.92 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3977 125.355590820312 2952.05908203125 1.48 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3978 127.08674621582 14919.6650390625 7.48 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3979 129.065933227539 16939.873046875 8.49 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3980 129.102073669434 5174.90893554688 2.59 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3981 129.56950378418 3229.58862304688 1.62 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3982 131.118225097656 17803.7077636719 8.92 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3983 133.050811767578 7192.8984375 3.61 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3984 133.060806274414 179811.671875 90.14 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3985 138.091178894043 11768.0251464844 5.9 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3986 141.065505981445 5540.62353515625 2.78 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3987 141.102127075195 18097.263671875 9.07 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3988 141.112274169922 3000.49243164062 1.5 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3989 143.117965698242 4690.75146484375 2.35 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3990 145.060546875 39804.20703125 19.95 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3991 154.09748840332 199481.4375 100 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3992 154.110397338867 6653.892578125 3.34 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3993 155.015762329102 4930.830078125 2.47 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3994 155.081466674805 134560.96875 67.46 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3995 155.117683410645 9135.45166015625 4.58 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3996 155.152099609375 3026.45239257812 1.52 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3997 157.133438110352 94024.890625 47.13 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3998 158.092193603516 6244.7109375 3.13 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
3999 169.060424804688 5067.861328125 2.54 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4000 170.044631958008 96956.9140625 48.6 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4001 172.10791015625 36266.9609375 18.18 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4002 178.415512084961 2798.56494140625 1.4 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4003 182.092483520508 98820.796875 49.54 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4004 182.128387451172 56813.08203125 28.48 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4005 183.076568603516 32172.50390625 16.13 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4006 183.112602233887 49895.705078125 25.01 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4007 185.128265380859 24880.546875 12.47 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4008 186.08716583252 24211.0078125 12.14 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4009 187.071311950684 88360.20703125 44.29 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4010 189.123641967773 17734.556640625 8.89 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4011 196.948913574219 2996.55834960938 1.5 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4012 200.103057861328 19847.759765625 9.95 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4013 200.139114379883 16344.5825195312 8.19 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4014 201.124221801758 4613.8994140625 2.31 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4015 204.097801208496 76574.49609375 38.39 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4016 208.096878051758 5119.6318359375 2.57 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4017 210.124572753906 14695.6591796875 7.37 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4018 211.107757568359 18789.5859375 9.42 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4019 225.123199462891 4797.7587890625 2.41 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4020 228.134841918945 26519.537109375 13.29 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4021 245.35807800293 3679.95971679688 1.84 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4022 255.133773803711 6747.7666015625 3.38 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4023 272.159423828125 10641.6845703125 5.33 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4024 299.171508789062 68947.8515625 34.56 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4025 317.116455078125 4209.64306640625 2.11 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4026 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4027 RECORD_TITLE: MZ:320.1805 | RT:62.9 | grpid:415 | file:NA |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4028 MS$FOCUSED_ION: PRECURSOR_M/Z 320.180476490627 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4029 AC$CHROMATOGRAPHY: RETENTION_TIME 62.924034 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4030 XCMS groupid (grpid): 415 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4031 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4032 PK$NUM_PEAK: 78 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4033 PK$PEAK: m/z int. rel.int. |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4034 100.63224029541 2963.869140625 0.4 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4035 101.071395874023 149174.751831055 20.26 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4036 101.206703186035 3570.3681640625 0.48 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4037 102.055271148682 24799.04296875 3.37 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4038 108.080657958984 4892.19140625 0.66 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4039 108.081634521484 10953.9453125 1.49 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4040 110.071514129639 4683.70764160156 0.64 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4041 110.096813201904 52555.44140625 7.14 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4042 110.366577148438 3414.05200195312 0.46 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4043 112.075988769531 35052.5234375 4.76 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4044 112.112503051758 26669.7333984375 3.62 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4045 112.67554473877 3376.37451171875 0.46 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4046 113.071197509766 4852.32629394531 0.66 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4047 118.086502075195 21080.421875 2.86 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4048 120.065803527832 56865.564453125 7.72 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4049 122.827262878418 3484.9326171875 0.47 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4050 128.107093811035 220110.3671875 29.89 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4051 128.354934692383 3170.56494140625 0.43 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4052 129.102348327637 93544.12890625 12.7 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4053 130.049980163574 13078.6883544922 1.78 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4054 130.086334228516 207334.921875 28.16 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4055 131.081161499023 3706.05786132812 0.5 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4056 136.075912475586 3415.15625 0.46 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4057 138.09105682373 10252.4157714844 1.39 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4058 140.070541381836 5268.96630859375 0.72 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4059 141.065902709961 4718.63427734375 0.64 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4060 142.122779846191 7076.05712890625 0.96 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4061 144.102104187012 3472.76672363281 0.47 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4062 145.727447509766 2849.14697265625 0.39 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4063 146.079727172852 3270.75537109375 0.44 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4064 155.117156982422 16230.1065673828 2.2 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4065 155.118110656738 19353.3371582031 2.63 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4066 155.306137084961 2754.38598632812 0.37 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4067 156.076416015625 4794.39697265625 0.65 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4068 156.077651977539 3957.36669921875 0.54 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4069 156.100448608398 3721.38208007812 0.51 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4070 157.097118377686 25811.8729248047 3.51 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4071 159.076553344727 9673.98974609375 1.31 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4072 165.269470214844 2941.64770507812 0.4 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4073 169.59992980957 2906.36572265625 0.39 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4074 171.077926635742 3279.56762695312 0.45 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4075 173.12837600708 736402.455566406 100 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4076 175.107643127441 98712.125 13.4 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4077 183.112533569336 5188.830078125 0.7 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4078 185.092338562012 8837.73626708984 1.2 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4079 185.542449951172 2855.73461914062 0.39 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4080 185.871612548828 3396.39013671875 0.46 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4081 187.072006225586 5646.04931640625 0.77 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4082 187.144203186035 13531.6088867188 1.84 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4083 189.085006713867 4207.75341796875 0.57 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4084 196.677001953125 3836.27905273438 0.52 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4085 201.12349319458 81805.4133300781 11.11 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4086 201.141998291016 4870.205078125 0.66 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4087 203.102951049805 40584.607421875 5.51 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4088 206.069625854492 3313.53002929688 0.45 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4089 206.911346435547 3781.48364257812 0.51 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4090 207.097984313965 13394.4077148438 1.82 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4091 212.083724975586 2866.78637695312 0.39 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4092 219.133857727051 27836.3818359375 3.78 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4093 221.113983154297 5093.689453125 0.69 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4094 224.080978393555 4571.36254882812 0.62 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4095 229.116897583008 2883.51318359375 0.39 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4096 237.601058959961 2892.41748046875 0.39 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4097 241.118682861328 6213.60546875 0.84 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4098 258.145965576172 26688.8759765625 3.62 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4099 259.127563476562 6199.59521484375 0.84 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4100 259.129089355469 6648.86767578125 0.9 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4101 263.309234619141 3296.20361328125 0.45 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4102 265.652374267578 3211.76806640625 0.44 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4103 276.698638916016 3204.525390625 0.44 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4104 279.226867675781 3227.61767578125 0.44 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4105 291.824340820312 2872.27758789062 0.39 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4106 302.170928955078 15033.4965820312 2.04 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4107 304.179077148438 2929.642578125 0.4 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4108 307.448608398438 2918.53735351562 0.4 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4109 320.157135009766 5962.02001953125 0.81 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4110 342.055236816406 3642.53344726562 0.49 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4111 343.174377441406 4363.37353515625 0.59 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4112 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4113 RECORD_TITLE: MZ:320.1805 | RT:62.9 | grpid:415 | file:NA |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4114 MS$FOCUSED_ION: PRECURSOR_M/Z 320.180476490627 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4115 AC$CHROMATOGRAPHY: RETENTION_TIME 62.924034 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4116 XCMS groupid (grpid): 415 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4117 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4118 PK$NUM_PEAK: 78 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4119 PK$PEAK: m/z int. rel.int. |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4120 100.63224029541 2963.869140625 0.4 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4121 101.071395874023 149174.751831055 20.26 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4122 101.206703186035 3570.3681640625 0.48 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4123 102.055271148682 24799.04296875 3.37 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4124 108.080657958984 4892.19140625 0.66 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4125 108.081634521484 10953.9453125 1.49 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4126 110.071514129639 4683.70764160156 0.64 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4127 110.096813201904 52555.44140625 7.14 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4128 110.366577148438 3414.05200195312 0.46 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4129 112.075988769531 35052.5234375 4.76 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4130 112.112503051758 26669.7333984375 3.62 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4131 112.67554473877 3376.37451171875 0.46 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4132 113.071197509766 4852.32629394531 0.66 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4133 118.086502075195 21080.421875 2.86 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4134 120.065803527832 56865.564453125 7.72 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4135 122.827262878418 3484.9326171875 0.47 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4136 128.107093811035 220110.3671875 29.89 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4137 128.354934692383 3170.56494140625 0.43 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4138 129.102348327637 93544.12890625 12.7 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4139 130.049980163574 13078.6883544922 1.78 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4140 130.086334228516 207334.921875 28.16 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4141 131.081161499023 3706.05786132812 0.5 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4142 136.075912475586 3415.15625 0.46 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4143 138.09105682373 10252.4157714844 1.39 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4144 140.070541381836 5268.96630859375 0.72 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4145 141.065902709961 4718.63427734375 0.64 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4146 142.122779846191 7076.05712890625 0.96 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4147 144.102104187012 3472.76672363281 0.47 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4148 145.727447509766 2849.14697265625 0.39 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4149 146.079727172852 3270.75537109375 0.44 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4150 155.117156982422 16230.1065673828 2.2 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4151 155.118110656738 19353.3371582031 2.63 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4152 155.306137084961 2754.38598632812 0.37 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4153 156.076416015625 4794.39697265625 0.65 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4154 156.077651977539 3957.36669921875 0.54 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4155 156.100448608398 3721.38208007812 0.51 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4156 157.097118377686 25811.8729248047 3.51 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4157 159.076553344727 9673.98974609375 1.31 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4158 165.269470214844 2941.64770507812 0.4 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4159 169.59992980957 2906.36572265625 0.39 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4160 171.077926635742 3279.56762695312 0.45 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4161 173.12837600708 736402.455566406 100 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4162 175.107643127441 98712.125 13.4 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4163 183.112533569336 5188.830078125 0.7 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4164 185.092338562012 8837.73626708984 1.2 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4165 185.542449951172 2855.73461914062 0.39 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4166 185.871612548828 3396.39013671875 0.46 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4167 187.072006225586 5646.04931640625 0.77 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4168 187.144203186035 13531.6088867188 1.84 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4169 189.085006713867 4207.75341796875 0.57 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4170 196.677001953125 3836.27905273438 0.52 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4171 201.12349319458 81805.4133300781 11.11 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4172 201.141998291016 4870.205078125 0.66 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4173 203.102951049805 40584.607421875 5.51 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4174 206.069625854492 3313.53002929688 0.45 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4175 206.911346435547 3781.48364257812 0.51 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4176 207.097984313965 13394.4077148438 1.82 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4177 212.083724975586 2866.78637695312 0.39 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4178 219.133857727051 27836.3818359375 3.78 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4179 221.113983154297 5093.689453125 0.69 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4180 224.080978393555 4571.36254882812 0.62 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4181 229.116897583008 2883.51318359375 0.39 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4182 237.601058959961 2892.41748046875 0.39 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4183 241.118682861328 6213.60546875 0.84 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4184 258.145965576172 26688.8759765625 3.62 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4185 259.127563476562 6199.59521484375 0.84 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4186 259.129089355469 6648.86767578125 0.9 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4187 263.309234619141 3296.20361328125 0.45 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4188 265.652374267578 3211.76806640625 0.44 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4189 276.698638916016 3204.525390625 0.44 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4190 279.226867675781 3227.61767578125 0.44 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4191 291.824340820312 2872.27758789062 0.39 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4192 302.170928955078 15033.4965820312 2.04 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4193 304.179077148438 2929.642578125 0.4 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4194 307.448608398438 2918.53735351562 0.4 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4195 320.157135009766 5962.02001953125 0.81 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4196 342.055236816406 3642.53344726562 0.49 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4197 343.174377441406 4363.37353515625 0.59 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4198 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4199 RECORD_TITLE: MZ:323.0385 | RT:83.4 | grpid:423 | file:NA |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4200 MS$FOCUSED_ION: PRECURSOR_M/Z 323.038522617119 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4201 AC$CHROMATOGRAPHY: RETENTION_TIME 83.441172 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4202 XCMS groupid (grpid): 423 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4203 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4204 PK$NUM_PEAK: 19 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4205 PK$PEAK: m/z int. rel.int. |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4206 106.13370513916 3051.279296875 31.77 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4207 128.50553894043 3386.35693359375 35.26 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4208 129.365707397461 3141.83325195312 32.72 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4209 137.635299682617 2781.98217773438 28.97 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4210 144.017776489258 2624.34545898438 27.33 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4211 153.065856933594 2935.0458984375 30.56 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4212 155.72932434082 2785.9228515625 29.01 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4213 174.750671386719 2664.54467773438 27.75 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4214 179.621505737305 2628.43286132812 27.37 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4215 190.996322631836 6637.37841796875 69.12 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4216 190.997634887695 3309.103515625 34.46 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4217 211.282440185547 2709.78198242188 28.22 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4218 212.091339111328 2775.75756835938 28.91 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4219 222.567947387695 2769.4775390625 28.84 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4220 256.982543945312 3841.45336914062 40 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4221 305.012542724609 5284.28857421875 55.03 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4222 323.039337158203 9602.89892578125 100 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4223 344.520050048828 3327.75537109375 34.65 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4224 348.558624267578 3066.99365234375 31.94 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4225 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4226 RECORD_TITLE: MZ:323.0385 | RT:83.4 | grpid:423 | file:NA |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4227 MS$FOCUSED_ION: PRECURSOR_M/Z 323.038522617119 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4228 AC$CHROMATOGRAPHY: RETENTION_TIME 83.441172 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4229 XCMS groupid (grpid): 423 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4230 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4231 PK$NUM_PEAK: 19 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4232 PK$PEAK: m/z int. rel.int. |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4233 106.13370513916 3051.279296875 31.77 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4234 128.50553894043 3386.35693359375 35.26 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4235 129.365707397461 3141.83325195312 32.72 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4236 137.635299682617 2781.98217773438 28.97 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4237 144.017776489258 2624.34545898438 27.33 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4238 153.065856933594 2935.0458984375 30.56 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4239 155.72932434082 2785.9228515625 29.01 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4240 174.750671386719 2664.54467773438 27.75 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4241 179.621505737305 2628.43286132812 27.37 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4242 190.996322631836 6637.37841796875 69.12 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4243 190.997634887695 3309.103515625 34.46 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4244 211.282440185547 2709.78198242188 28.22 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4245 212.091339111328 2775.75756835938 28.91 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4246 222.567947387695 2769.4775390625 28.84 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4247 256.982543945312 3841.45336914062 40 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4248 305.012542724609 5284.28857421875 55.03 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4249 323.039337158203 9602.89892578125 100 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4250 344.520050048828 3327.75537109375 34.65 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4251 348.558624267578 3066.99365234375 31.94 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4252 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4253 RECORD_TITLE: MZ:326.1474 | RT:97.7 | grpid:429 | file:NA |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4254 MS$FOCUSED_ION: PRECURSOR_M/Z 326.147406045903 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4255 AC$CHROMATOGRAPHY: RETENTION_TIME 97.724058 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4256 XCMS groupid (grpid): 429 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4257 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4258 PK$NUM_PEAK: 8 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4259 PK$PEAK: m/z int. rel.int. |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4260 110.071594238281 18136.025390625 100 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4261 111.771446228027 2785.8037109375 15.36 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4262 117.990272521973 2784.25244140625 15.35 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4263 156.076690673828 14272.5439453125 78.7 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4264 165.825180053711 2898.11499023438 15.98 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4265 202.852157592773 3820.03295898438 21.06 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4266 255.132080078125 4374.06005859375 24.12 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4267 309.125244140625 6484.82861328125 35.76 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4268 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4269 RECORD_TITLE: MZ:326.1474 | RT:97.7 | grpid:429 | file:NA |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4270 MS$FOCUSED_ION: PRECURSOR_M/Z 326.147406045903 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4271 AC$CHROMATOGRAPHY: RETENTION_TIME 97.724058 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4272 XCMS groupid (grpid): 429 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4273 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4274 PK$NUM_PEAK: 8 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4275 PK$PEAK: m/z int. rel.int. |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4276 110.071594238281 18136.025390625 100 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4277 111.771446228027 2785.8037109375 15.36 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4278 117.990272521973 2784.25244140625 15.35 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4279 156.076690673828 14272.5439453125 78.7 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4280 165.825180053711 2898.11499023438 15.98 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4281 202.852157592773 3820.03295898438 21.06 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4282 255.132080078125 4374.06005859375 24.12 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4283 309.125244140625 6484.82861328125 35.76 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4284 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4285 RECORD_TITLE: MZ:332.1813 | RT:65.9 | grpid:443 | file:NA |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4286 MS$FOCUSED_ION: PRECURSOR_M/Z 332.181334574007 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4287 AC$CHROMATOGRAPHY: RETENTION_TIME 65.949288 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4288 XCMS groupid (grpid): 443 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4289 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4290 PK$NUM_PEAK: 7 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4291 PK$PEAK: m/z int. rel.int. |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4292 102.055431365967 27022.8269042969 42.2 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4293 109.076393127441 4476.58837890625 6.99 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4294 130.049758911133 24178.3735351562 37.76 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4295 157.133674621582 64029.02734375 100 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4296 201.086990356445 60467.7214355469 94.44 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4297 219.097457885742 39047.7158203125 60.98 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4298 233.113388061523 43867.30859375 68.51 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4299 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4300 RECORD_TITLE: MZ:332.1813 | RT:65.9 | grpid:443 | file:NA |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4301 MS$FOCUSED_ION: PRECURSOR_M/Z 332.181334574007 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4302 AC$CHROMATOGRAPHY: RETENTION_TIME 65.949288 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4303 XCMS groupid (grpid): 443 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4304 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4305 PK$NUM_PEAK: 7 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4306 PK$PEAK: m/z int. rel.int. |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4307 102.055431365967 27022.8269042969 42.2 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4308 109.076393127441 4476.58837890625 6.99 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4309 130.049758911133 24178.3735351562 37.76 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4310 157.133674621582 64029.02734375 100 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4311 201.086990356445 60467.7214355469 94.44 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4312 219.097457885742 39047.7158203125 60.98 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4313 233.113388061523 43867.30859375 68.51 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4314 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4315 RECORD_TITLE: MZ:334.1384 | RT:121.6 | grpid:450 | file:NA |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4316 MS$FOCUSED_ION: PRECURSOR_M/Z 334.138365714283 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4317 AC$CHROMATOGRAPHY: RETENTION_TIME 121.56708 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4318 XCMS groupid (grpid): 450 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4319 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4320 PK$NUM_PEAK: 52 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4321 PK$PEAK: m/z int. rel.int. |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4322 102.039459228516 3126.5771484375 1.3 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4323 102.055393218994 28924.8486328125 12.03 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4324 105.638916015625 2670.29809570312 1.11 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4325 115.054626464844 5557.07958984375 2.31 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4326 117.057487487793 6078.82861328125 2.53 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4327 117.070014953613 3981.421875 1.66 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4328 118.06526184082 3313.49340820312 1.38 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4329 130.05005645752 4868.30004882812 2.03 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4330 130.065113067627 102264.188537598 42.54 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4331 130.162689208984 3056.7685546875 1.27 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4332 132.071838378906 3012.13842773438 1.25 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4333 132.0810546875 102457.63671875 42.63 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4334 132.654556274414 3404.462890625 1.42 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4335 134.146469116211 3342.78857421875 1.39 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4336 142.065338134766 23379.9931640625 9.73 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4337 142.121871948242 2997.10668945312 1.25 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4338 144.080966949463 95771.9963989258 39.84 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4339 146.03205871582 3363.439453125 1.4 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4340 148.061050415039 5300.45068359375 2.21 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4341 156.029846191406 3091.78295898438 1.29 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4342 159.091701507568 240368.406982422 100 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4343 160.075492858887 27109.7802734375 11.28 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4344 160.094924926758 11488.8818359375 4.78 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4345 161.097595214844 4805.8994140625 2 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4346 170.059925079346 138106.479553223 57.46 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4347 170.158843994141 3004.7626953125 1.25 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4348 171.062759399414 3257.57153320312 1.36 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4349 172.07551574707 4901.2236328125 2.04 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4350 175.081741333008 3287.94970703125 1.37 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4351 182.887130737305 3075.35620117188 1.28 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4352 185.055725097656 4065.85803222656 1.69 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4353 187.143844604492 3390.4921875 1.41 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4354 188.070938110352 5657.86596679688 2.35 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4355 194.829803466797 3063.95654296875 1.27 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4356 200.221343994141 3180.76538085938 1.32 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4357 211.62971496582 2979.23071289062 1.24 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4358 237.655975341797 2828.33325195312 1.18 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4359 237.822662353516 3933.26025390625 1.64 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4360 243.971221923828 3058.2705078125 1.27 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4361 267.561004638672 3180.29345703125 1.32 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4362 271.107147216797 3924.17333984375 1.63 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4363 275.105682373047 4434.3291015625 1.84 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4364 278.594848632812 3003.77319335938 1.25 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4365 290.107940673828 6866.68310546875 2.86 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4366 292.225799560547 2910.02954101562 1.21 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4367 299.102325439453 15749.515625 6.55 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4368 317.112945556641 71396.86328125 29.7 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4369 319.119873046875 3982.1943359375 1.66 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4370 326.211242675781 3113.96240234375 1.3 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4371 331.68310546875 3073.66259765625 1.28 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4372 341.972106933594 3192.58032226562 1.33 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4373 347.064605712891 3606.46557617188 1.5 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4374 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4375 RECORD_TITLE: MZ:334.1384 | RT:121.6 | grpid:450 | file:NA |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4376 MS$FOCUSED_ION: PRECURSOR_M/Z 334.138365714283 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4377 AC$CHROMATOGRAPHY: RETENTION_TIME 121.56708 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4378 XCMS groupid (grpid): 450 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4379 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4380 PK$NUM_PEAK: 52 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4381 PK$PEAK: m/z int. rel.int. |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4382 102.039459228516 3126.5771484375 1.3 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4383 102.055393218994 28924.8486328125 12.03 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4384 105.638916015625 2670.29809570312 1.11 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4385 115.054626464844 5557.07958984375 2.31 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4386 117.057487487793 6078.82861328125 2.53 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4387 117.070014953613 3981.421875 1.66 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4388 118.06526184082 3313.49340820312 1.38 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4389 130.05005645752 4868.30004882812 2.03 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4390 130.065113067627 102264.188537598 42.54 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4391 130.162689208984 3056.7685546875 1.27 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4392 132.071838378906 3012.13842773438 1.25 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4393 132.0810546875 102457.63671875 42.63 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4394 132.654556274414 3404.462890625 1.42 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4395 134.146469116211 3342.78857421875 1.39 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4396 142.065338134766 23379.9931640625 9.73 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4397 142.121871948242 2997.10668945312 1.25 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4398 144.080966949463 95771.9963989258 39.84 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4399 146.03205871582 3363.439453125 1.4 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4400 148.061050415039 5300.45068359375 2.21 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4401 156.029846191406 3091.78295898438 1.29 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4402 159.091701507568 240368.406982422 100 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4403 160.075492858887 27109.7802734375 11.28 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4404 160.094924926758 11488.8818359375 4.78 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4405 161.097595214844 4805.8994140625 2 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4406 170.059925079346 138106.479553223 57.46 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4407 170.158843994141 3004.7626953125 1.25 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4408 171.062759399414 3257.57153320312 1.36 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4409 172.07551574707 4901.2236328125 2.04 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4410 175.081741333008 3287.94970703125 1.37 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4411 182.887130737305 3075.35620117188 1.28 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4412 185.055725097656 4065.85803222656 1.69 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4413 187.143844604492 3390.4921875 1.41 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4414 188.070938110352 5657.86596679688 2.35 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4415 194.829803466797 3063.95654296875 1.27 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4416 200.221343994141 3180.76538085938 1.32 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4417 211.62971496582 2979.23071289062 1.24 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4418 237.655975341797 2828.33325195312 1.18 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4419 237.822662353516 3933.26025390625 1.64 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4420 243.971221923828 3058.2705078125 1.27 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4421 267.561004638672 3180.29345703125 1.32 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4422 271.107147216797 3924.17333984375 1.63 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4423 275.105682373047 4434.3291015625 1.84 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4424 278.594848632812 3003.77319335938 1.25 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4425 290.107940673828 6866.68310546875 2.86 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4426 292.225799560547 2910.02954101562 1.21 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4427 299.102325439453 15749.515625 6.55 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4428 317.112945556641 71396.86328125 29.7 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4429 319.119873046875 3982.1943359375 1.66 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4430 326.211242675781 3113.96240234375 1.3 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4431 331.68310546875 3073.66259765625 1.28 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4432 341.972106933594 3192.58032226562 1.33 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4433 347.064605712891 3606.46557617188 1.5 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4434 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4435 RECORD_TITLE: MZ:335.0717 | RT:37.1 | grpid:451 | file:NA |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4436 MS$FOCUSED_ION: PRECURSOR_M/Z 335.071702758472 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4437 AC$CHROMATOGRAPHY: RETENTION_TIME 37.1197878 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4438 XCMS groupid (grpid): 451 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4439 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4440 PK$NUM_PEAK: 23 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4441 PK$PEAK: m/z int. rel.int. |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4442 109.028854370117 77211.3671875 100 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4443 112.417579650879 2861.51879882812 3.71 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4444 116.994819641113 14928.2919921875 19.33 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4445 120.833572387695 2670.53662109375 3.46 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4446 124.93717956543 4491.90380859375 5.82 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4447 127.038955688477 18605.169921875 24.1 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4448 140.010711669922 17025.10546875 22.05 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4449 142.948211669922 6705.46044921875 8.68 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4450 145.049789428711 6557.4921875 8.49 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4451 162.45671081543 3080.2978515625 3.99 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4452 163.060287475586 22311.455078125 28.9 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4453 164.930374145508 42782.25390625 55.41 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4454 173.020812988281 63736.734375 82.55 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4455 178.944793701172 22036.150390625 28.54 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4456 215.009567260742 14709.431640625 19.05 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4457 218.967132568359 51529.28515625 66.74 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4458 236.957992553711 29484.544921875 38.19 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4459 244.980163574219 4468.62158203125 5.79 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4460 261.036590576172 47865.4765625 61.99 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4461 273.154998779297 3246.16064453125 4.2 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4462 276.924835205078 5296.65771484375 6.86 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4463 316.950531005859 7445.36279296875 9.64 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4464 335.071899414062 3603.01391601562 4.67 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4465 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4466 RECORD_TITLE: MZ:335.0717 | RT:37.1 | grpid:451 | file:NA |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4467 MS$FOCUSED_ION: PRECURSOR_M/Z 335.071702758472 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4468 AC$CHROMATOGRAPHY: RETENTION_TIME 37.1197878 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4469 XCMS groupid (grpid): 451 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4470 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4471 PK$NUM_PEAK: 23 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4472 PK$PEAK: m/z int. rel.int. |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4473 109.028854370117 77211.3671875 100 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4474 112.417579650879 2861.51879882812 3.71 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4475 116.994819641113 14928.2919921875 19.33 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4476 120.833572387695 2670.53662109375 3.46 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4477 124.93717956543 4491.90380859375 5.82 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4478 127.038955688477 18605.169921875 24.1 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4479 140.010711669922 17025.10546875 22.05 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4480 142.948211669922 6705.46044921875 8.68 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4481 145.049789428711 6557.4921875 8.49 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4482 162.45671081543 3080.2978515625 3.99 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4483 163.060287475586 22311.455078125 28.9 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4484 164.930374145508 42782.25390625 55.41 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4485 173.020812988281 63736.734375 82.55 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4486 178.944793701172 22036.150390625 28.54 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4487 215.009567260742 14709.431640625 19.05 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4488 218.967132568359 51529.28515625 66.74 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4489 236.957992553711 29484.544921875 38.19 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4490 244.980163574219 4468.62158203125 5.79 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4491 261.036590576172 47865.4765625 61.99 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4492 273.154998779297 3246.16064453125 4.2 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4493 276.924835205078 5296.65771484375 6.86 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4494 316.950531005859 7445.36279296875 9.64 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4495 335.071899414062 3603.01391601562 4.67 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4496 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4497 RECORD_TITLE: MZ:347.1919 | RT:78 | grpid:479 | file:NA |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4498 MS$FOCUSED_ION: PRECURSOR_M/Z 347.191936720949 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4499 AC$CHROMATOGRAPHY: RETENTION_TIME 78.035046 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4500 XCMS groupid (grpid): 479 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4501 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4502 PK$NUM_PEAK: 40 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4503 PK$PEAK: m/z int. rel.int. |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4504 101.07145690918 42013.8671875 15.33 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4505 102.055435180664 13601.3348388672 4.96 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4506 106.050281524658 80382.76171875 29.33 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4507 119.081886291504 20982.5908203125 7.66 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4508 120.065902709961 36710.8544921875 13.39 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4509 129.066047668457 38798.3251953125 14.16 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4510 129.102546691895 8172.5771484375 2.98 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4511 130.05001449585 32116.1342773438 11.72 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4512 131.117923736572 58518.6560058594 21.35 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4513 133.06086730957 9769.66430664062 3.56 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4514 136.06169128418 84242.04296875 30.74 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4515 138.091270446777 17284.3686523438 6.31 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4516 142.123107910156 4127.76293945312 1.51 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4517 147.076286315918 21140.9025878906 7.71 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4518 154.049865722656 16886.4985351562 6.16 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4519 155.117904663086 11958.1408691406 4.36 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4520 157.061103820801 11410.8273925781 4.16 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4521 169.133476257324 36649.73828125 13.37 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4522 171.075836181641 15973.2768554688 5.83 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4523 173.128398895264 19281.6587524414 7.03 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4524 183.112934112549 24968.0172119141 9.11 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4525 187.144176483154 35368.5026855469 12.9 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4526 195.076560974121 4683.19836425781 1.71 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4527 196.144481658936 274085.2265625 100 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4528 197.128223419189 174569.551269531 63.69 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4529 199.071220397949 22197.138671875 8.1 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4530 200.05534362793 19542.0102539062 7.13 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4531 200.139255523682 19403.5975341797 7.08 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4532 211.107872009277 25114.0581054688 9.16 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4533 214.154949188232 99234.4387207031 36.21 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4534 216.097702026367 79466.4448242188 28.99 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4535 217.081867218018 48405.6391601562 17.66 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4536 224.139167785645 42035.3784179688 15.34 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4537 225.123352050781 27503.9404296875 10.03 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4538 228.134410858154 7447.71801757812 2.72 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4539 230.113746643066 16533.8125 6.03 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4540 234.108367919922 22634.8635253906 8.26 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4541 242.150058746338 21764.7761230469 7.94 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4542 329.181488037109 11274.7761230469 4.11 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4543 347.136184692383 4085.76953125 1.49 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4544 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4545 RECORD_TITLE: MZ:347.1919 | RT:78 | grpid:479 | file:NA |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4546 MS$FOCUSED_ION: PRECURSOR_M/Z 347.191936720949 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4547 AC$CHROMATOGRAPHY: RETENTION_TIME 78.035046 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4548 XCMS groupid (grpid): 479 |
|
ca0ac330f1a4
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_inter' msPurity version:1.11.0 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4550 PK$NUM_PEAK: 40 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4551 PK$PEAK: m/z int. rel.int. |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4552 101.07145690918 42013.8671875 15.33 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4553 102.055435180664 13601.3348388672 4.96 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4554 106.050281524658 80382.76171875 29.33 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4555 119.081886291504 20982.5908203125 7.66 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4556 120.065902709961 36710.8544921875 13.39 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4557 129.066047668457 38798.3251953125 14.16 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4558 129.102546691895 8172.5771484375 2.98 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4559 130.05001449585 32116.1342773438 11.72 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4560 131.117923736572 58518.6560058594 21.35 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4561 133.06086730957 9769.66430664062 3.56 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4562 136.06169128418 84242.04296875 30.74 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4563 138.091270446777 17284.3686523438 6.31 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4564 142.123107910156 4127.76293945312 1.51 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4565 147.076286315918 21140.9025878906 7.71 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4566 154.049865722656 16886.4985351562 6.16 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4567 155.117904663086 11958.1408691406 4.36 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4568 157.061103820801 11410.8273925781 4.16 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4569 169.133476257324 36649.73828125 13.37 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4570 171.075836181641 15973.2768554688 5.83 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4571 173.128398895264 19281.6587524414 7.03 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4572 183.112934112549 24968.0172119141 9.11 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4573 187.144176483154 35368.5026855469 12.9 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4574 195.076560974121 4683.19836425781 1.71 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4575 196.144481658936 274085.2265625 100 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4576 197.128223419189 174569.551269531 63.69 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4577 199.071220397949 22197.138671875 8.1 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4578 200.05534362793 19542.0102539062 7.13 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4579 200.139255523682 19403.5975341797 7.08 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4580 211.107872009277 25114.0581054688 9.16 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4581 214.154949188232 99234.4387207031 36.21 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4582 216.097702026367 79466.4448242188 28.99 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4583 217.081867218018 48405.6391601562 17.66 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4584 224.139167785645 42035.3784179688 15.34 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4585 225.123352050781 27503.9404296875 10.03 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4586 228.134410858154 7447.71801757812 2.72 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4587 230.113746643066 16533.8125 6.03 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4588 234.108367919922 22634.8635253906 8.26 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4589 242.150058746338 21764.7761230469 7.94 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4590 329.181488037109 11274.7761230469 4.11 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4591 347.136184692383 4085.76953125 1.49 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4592 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4593 RECORD_TITLE: MZ:352.0633 | RT:112 | grpid:488 | file:NA |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4594 MS$FOCUSED_ION: PRECURSOR_M/Z 352.063275879513 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4595 AC$CHROMATOGRAPHY: RETENTION_TIME 111.9768 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4596 XCMS groupid (grpid): 488 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4597 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4598 PK$NUM_PEAK: 22 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4599 PK$PEAK: m/z int. rel.int. |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4600 102.055809020996 3488.69775390625 0.63 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4601 105.000898361206 16336.8388671875 2.95 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4602 105.978281021118 15852.0971679688 2.87 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4603 114.001266479492 4553.93688964844 0.82 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4604 117.996013641357 6775.927734375 1.23 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4605 120.081104278564 13023.3732910156 2.35 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4606 122.027236938477 553120.8125 100 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4607 130.050018310547 86552.171875 15.65 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4608 131.993957519531 7682.41979980469 1.39 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4609 153.065776824951 20146.9638671875 3.64 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4610 155.081321716309 13938.3671875 2.52 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4611 159.021842956543 3775.62109375 0.68 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4612 177.999046325684 83820.31640625 15.15 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4613 181.060913085938 10014.1801757812 1.81 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4614 185.037879943848 58502.39453125 10.58 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4615 195.025619506836 160501.0390625 29.02 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4616 199.071537017822 26622.7993164062 4.81 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4617 205.994037628174 13038.1251220703 2.36 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4618 223.020523071289 75684.09375 13.68 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4619 231.043304443359 212588.828125 38.43 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4620 289.03076171875 21141.5427246094 3.82 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4621 335.036277770996 7863.31567382812 1.42 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4622 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4623 RECORD_TITLE: MZ:352.0633 | RT:112 | grpid:488 | file:NA |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4624 MS$FOCUSED_ION: PRECURSOR_M/Z 352.063275879513 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4625 AC$CHROMATOGRAPHY: RETENTION_TIME 111.9768 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4626 XCMS groupid (grpid): 488 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4627 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4628 PK$NUM_PEAK: 22 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4629 PK$PEAK: m/z int. rel.int. |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4630 102.055809020996 3488.69775390625 0.63 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4631 105.000898361206 16336.8388671875 2.95 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4632 105.978281021118 15852.0971679688 2.87 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4633 114.001266479492 4553.93688964844 0.82 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4634 117.996013641357 6775.927734375 1.23 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4635 120.081104278564 13023.3732910156 2.35 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4636 122.027236938477 553120.8125 100 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4637 130.050018310547 86552.171875 15.65 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4638 131.993957519531 7682.41979980469 1.39 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4639 153.065776824951 20146.9638671875 3.64 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4640 155.081321716309 13938.3671875 2.52 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4641 159.021842956543 3775.62109375 0.68 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4642 177.999046325684 83820.31640625 15.15 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4643 181.060913085938 10014.1801757812 1.81 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4644 185.037879943848 58502.39453125 10.58 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4645 195.025619506836 160501.0390625 29.02 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4646 199.071537017822 26622.7993164062 4.81 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4647 205.994037628174 13038.1251220703 2.36 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4648 223.020523071289 75684.09375 13.68 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4649 231.043304443359 212588.828125 38.43 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4650 289.03076171875 21141.5427246094 3.82 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4651 335.036277770996 7863.31567382812 1.42 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4652 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4653 RECORD_TITLE: MZ:361.1381 | RT:70.6 | grpid:513 | file:NA |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4654 MS$FOCUSED_ION: PRECURSOR_M/Z 361.138129803043 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4655 AC$CHROMATOGRAPHY: RETENTION_TIME 70.627524 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4656 XCMS groupid (grpid): 513 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4657 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4658 PK$NUM_PEAK: 85 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4659 PK$PEAK: m/z int. rel.int. |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4660 100.039588928223 12111.5087890625 4.67 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4661 107.049629211426 4299.3486328125 1.66 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4662 110.023170471191 3329.40161132812 1.28 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4663 113.107704162598 4920.34716796875 1.9 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4664 116.034530639648 7970.45849609375 3.07 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4665 116.070457458496 3458.05126953125 1.33 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4666 116.985847473145 13577.693359375 5.23 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4667 119.073257446289 52893.6640625 20.38 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4668 130.049957275391 20132.3671875 7.76 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4669 133.060897827148 144405.171875 55.65 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4670 134.060043334961 17994.07421875 6.93 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4671 134.981506347656 5619.01708984375 2.17 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4672 135.068466186523 23966.64453125 9.24 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4673 138.09162902832 13969.5419921875 5.38 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4674 141.102188110352 37979.31640625 14.64 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4675 143.118011474609 7567.67626953125 2.92 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4676 147.076568603516 19166.4921875 7.39 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4677 155.117233276367 6305.6201171875 2.43 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4678 156.102005004883 36974.96875 14.25 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4679 158.013305664062 4057.98681640625 1.56 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4680 165.070190429688 5099.9306640625 1.97 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4681 171.112991333008 4143.97216796875 1.6 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4682 173.092239379883 15757.16796875 6.07 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4683 179.085739135742 7024.31640625 2.71 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4684 181.064788818359 5268.21240234375 2.03 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4685 181.101837158203 5614.2802734375 2.16 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4686 183.080139160156 12282.3447265625 4.73 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4687 183.113555908203 29961.744140625 11.55 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4688 184.096923828125 12666.150390625 4.88 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4689 187.075881958008 4133.361328125 1.59 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4690 187.142852783203 3805.51293945312 1.47 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4691 188.072265625 11006.3916015625 4.24 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4692 189.04345703125 4672.9296875 1.8 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4693 191.085342407227 22742.767578125 8.76 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4694 194.072357177734 13341.189453125 5.14 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4695 195.080490112305 19792.763671875 7.63 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4696 201.123229980469 259482.203125 100 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4697 207.079467773438 39465.890625 15.21 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4698 209.096343994141 56589.96875 21.81 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4699 210.067993164062 4406.3505859375 1.7 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4700 211.075164794922 20023.044921875 7.72 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4701 213.090377807617 18122.58984375 6.98 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4702 215.072402954102 3484.60229492188 1.34 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4703 219.079452514648 26361.6953125 10.16 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4704 221.060852050781 4412.328125 1.7 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4705 222.067459106445 3540.63134765625 1.36 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4706 223.074951171875 7758.408203125 2.99 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4707 224.080169677734 7972.9208984375 3.07 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4708 225.090362548828 25800.498046875 9.94 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4709 229.083251953125 3768.3662109375 1.45 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4710 229.118225097656 12735.6953125 4.91 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4711 230.070190429688 5364.15283203125 2.07 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4712 235.075057983398 126146.1484375 48.61 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4713 237.090667724609 160906.78125 62.01 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4714 239.069213867188 14495.7060546875 5.59 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4715 240.101486206055 4774.25439453125 1.84 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4716 241.085800170898 46825.71484375 18.05 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4717 242.118072509766 7847.2568359375 3.02 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4718 248.07975769043 6978.37646484375 2.69 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4719 248.124008178711 5452.91552734375 2.1 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4720 252.101409912109 75927.4921875 29.26 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4721 253.086029052734 26955.53515625 10.39 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4722 254.117233276367 172187.140625 66.36 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4723 256.095886230469 16094.89453125 6.2 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4724 256.129821777344 3579.3505859375 1.38 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4725 257.084869384766 6229.66748046875 2.4 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4726 263.070037841797 17579.080078125 6.77 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4727 265.084991455078 22661.712890625 8.73 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4728 269.128082275391 117529.4765625 45.29 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4729 270.111968994141 75451.5546875 29.08 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4730 271.095458984375 6631.2734375 2.56 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4731 280.097412109375 8217.4287109375 3.17 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4732 281.081176757812 37312.8984375 14.38 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4733 281.109832763672 5784.72265625 2.23 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4734 283.096374511719 65701.3984375 25.32 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4735 298.107055664062 90345.890625 34.82 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4736 299.091491699219 8044.08203125 3.1 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4737 300.122497558594 13494.9658203125 5.2 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4738 315.133636474609 233480.109375 89.98 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4739 316.117401123047 35712.87890625 13.76 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4740 319.153411865234 5623.4189453125 2.17 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4741 327.087799072266 5716.10888671875 2.2 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4742 343.513671875 4175.29833984375 1.61 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4743 344.113220214844 18831.517578125 7.26 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4744 361.139190673828 34313.515625 13.22 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4745 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4746 RECORD_TITLE: MZ:361.1381 | RT:70.6 | grpid:513 | file:NA |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4747 MS$FOCUSED_ION: PRECURSOR_M/Z 361.138129803043 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4748 AC$CHROMATOGRAPHY: RETENTION_TIME 70.627524 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4749 XCMS groupid (grpid): 513 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4750 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4751 PK$NUM_PEAK: 85 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4752 PK$PEAK: m/z int. rel.int. |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4753 100.039588928223 12111.5087890625 4.67 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4754 107.049629211426 4299.3486328125 1.66 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4755 110.023170471191 3329.40161132812 1.28 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4756 113.107704162598 4920.34716796875 1.9 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4757 116.034530639648 7970.45849609375 3.07 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4758 116.070457458496 3458.05126953125 1.33 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4759 116.985847473145 13577.693359375 5.23 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4760 119.073257446289 52893.6640625 20.38 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4761 130.049957275391 20132.3671875 7.76 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4762 133.060897827148 144405.171875 55.65 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4763 134.060043334961 17994.07421875 6.93 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4764 134.981506347656 5619.01708984375 2.17 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4765 135.068466186523 23966.64453125 9.24 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4766 138.09162902832 13969.5419921875 5.38 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4767 141.102188110352 37979.31640625 14.64 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4768 143.118011474609 7567.67626953125 2.92 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4769 147.076568603516 19166.4921875 7.39 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4770 155.117233276367 6305.6201171875 2.43 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4771 156.102005004883 36974.96875 14.25 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4772 158.013305664062 4057.98681640625 1.56 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4773 165.070190429688 5099.9306640625 1.97 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4774 171.112991333008 4143.97216796875 1.6 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4775 173.092239379883 15757.16796875 6.07 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4776 179.085739135742 7024.31640625 2.71 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4777 181.064788818359 5268.21240234375 2.03 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4778 181.101837158203 5614.2802734375 2.16 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4779 183.080139160156 12282.3447265625 4.73 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4780 183.113555908203 29961.744140625 11.55 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4781 184.096923828125 12666.150390625 4.88 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4782 187.075881958008 4133.361328125 1.59 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4783 187.142852783203 3805.51293945312 1.47 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4784 188.072265625 11006.3916015625 4.24 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4785 189.04345703125 4672.9296875 1.8 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4786 191.085342407227 22742.767578125 8.76 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4787 194.072357177734 13341.189453125 5.14 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4788 195.080490112305 19792.763671875 7.63 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4789 201.123229980469 259482.203125 100 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4790 207.079467773438 39465.890625 15.21 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4791 209.096343994141 56589.96875 21.81 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4792 210.067993164062 4406.3505859375 1.7 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4793 211.075164794922 20023.044921875 7.72 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4794 213.090377807617 18122.58984375 6.98 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4795 215.072402954102 3484.60229492188 1.34 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4796 219.079452514648 26361.6953125 10.16 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4797 221.060852050781 4412.328125 1.7 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4798 222.067459106445 3540.63134765625 1.36 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4799 223.074951171875 7758.408203125 2.99 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4800 224.080169677734 7972.9208984375 3.07 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4801 225.090362548828 25800.498046875 9.94 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4802 229.083251953125 3768.3662109375 1.45 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4803 229.118225097656 12735.6953125 4.91 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4804 230.070190429688 5364.15283203125 2.07 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4805 235.075057983398 126146.1484375 48.61 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4806 237.090667724609 160906.78125 62.01 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4807 239.069213867188 14495.7060546875 5.59 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4808 240.101486206055 4774.25439453125 1.84 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4809 241.085800170898 46825.71484375 18.05 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4810 242.118072509766 7847.2568359375 3.02 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4811 248.07975769043 6978.37646484375 2.69 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4812 248.124008178711 5452.91552734375 2.1 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4813 252.101409912109 75927.4921875 29.26 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4814 253.086029052734 26955.53515625 10.39 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4815 254.117233276367 172187.140625 66.36 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4816 256.095886230469 16094.89453125 6.2 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4817 256.129821777344 3579.3505859375 1.38 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4818 257.084869384766 6229.66748046875 2.4 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4819 263.070037841797 17579.080078125 6.77 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4820 265.084991455078 22661.712890625 8.73 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4821 269.128082275391 117529.4765625 45.29 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4822 270.111968994141 75451.5546875 29.08 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4823 271.095458984375 6631.2734375 2.56 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4824 280.097412109375 8217.4287109375 3.17 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4825 281.081176757812 37312.8984375 14.38 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4826 281.109832763672 5784.72265625 2.23 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4827 283.096374511719 65701.3984375 25.32 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4828 298.107055664062 90345.890625 34.82 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4829 299.091491699219 8044.08203125 3.1 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4830 300.122497558594 13494.9658203125 5.2 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4831 315.133636474609 233480.109375 89.98 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4832 316.117401123047 35712.87890625 13.76 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4833 319.153411865234 5623.4189453125 2.17 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4834 327.087799072266 5716.10888671875 2.2 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4835 343.513671875 4175.29833984375 1.61 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4836 344.113220214844 18831.517578125 7.26 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4837 361.139190673828 34313.515625 13.22 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4838 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4839 RECORD_TITLE: MZ:362.1915 | RT:64.4 | grpid:515 | file:NA |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4840 MS$FOCUSED_ION: PRECURSOR_M/Z 362.191525584631 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4841 AC$CHROMATOGRAPHY: RETENTION_TIME 64.427298 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4842 XCMS groupid (grpid): 515 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4843 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4844 PK$NUM_PEAK: 28 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4845 PK$PEAK: m/z int. rel.int. |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4846 101.071460723877 22447.7890625 9.82 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4847 102.055389404297 124352.671875 54.37 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4848 102.202476501465 3083.99609375 1.35 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4849 112.222114562988 3042.80590820312 1.33 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4850 116.071235656738 6828.22705078125 2.99 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4851 120.06575012207 122754.9296875 53.68 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4852 130.049751281738 29039.6904296875 12.7 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4853 140.07054901123 11533.4318847656 5.04 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4854 142.122718811035 10574.3703613281 4.62 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4855 143.118179321289 3994.87170410156 1.75 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4856 148.060852050781 4624.80590820312 2.02 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4857 152.107116699219 3751.466796875 1.64 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4858 154.849838256836 3004.14819335938 1.31 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4859 169.06022644043 4621.54443359375 2.02 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4860 170.118118286133 7709.37158203125 3.37 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4861 185.092147827148 11393.6999511719 4.98 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4862 187.144096374512 105053.1640625 45.94 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4863 197.129096984863 10520.5854492188 4.6 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4864 202.127166748047 4503.88134765625 1.97 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4865 213.086868286133 78922.734375 34.51 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4866 215.138969421387 228697.65625 100 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4867 231.097595214844 136025.984375 59.48 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4868 231.119110107422 6252.3779296875 2.73 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4869 231.143371582031 3239.9208984375 1.42 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4870 238.79475402832 3672.62524414062 1.61 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4871 242.328903198242 3181.13891601562 1.39 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4872 243.1337890625 47365.04296875 20.71 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4873 249.107627868652 8284.73291015625 3.62 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4874 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4875 RECORD_TITLE: MZ:362.1915 | RT:64.4 | grpid:515 | file:NA |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4876 MS$FOCUSED_ION: PRECURSOR_M/Z 362.191525584631 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4877 AC$CHROMATOGRAPHY: RETENTION_TIME 64.427298 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4878 XCMS groupid (grpid): 515 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4879 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4880 PK$NUM_PEAK: 28 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4881 PK$PEAK: m/z int. rel.int. |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4882 101.071460723877 22447.7890625 9.82 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4883 102.055389404297 124352.671875 54.37 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4884 102.202476501465 3083.99609375 1.35 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4885 112.222114562988 3042.80590820312 1.33 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4886 116.071235656738 6828.22705078125 2.99 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4887 120.06575012207 122754.9296875 53.68 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4888 130.049751281738 29039.6904296875 12.7 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4889 140.07054901123 11533.4318847656 5.04 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4890 142.122718811035 10574.3703613281 4.62 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4891 143.118179321289 3994.87170410156 1.75 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4892 148.060852050781 4624.80590820312 2.02 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4893 152.107116699219 3751.466796875 1.64 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4894 154.849838256836 3004.14819335938 1.31 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4895 169.06022644043 4621.54443359375 2.02 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4896 170.118118286133 7709.37158203125 3.37 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4897 185.092147827148 11393.6999511719 4.98 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4898 187.144096374512 105053.1640625 45.94 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4899 197.129096984863 10520.5854492188 4.6 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4900 202.127166748047 4503.88134765625 1.97 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4901 213.086868286133 78922.734375 34.51 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4902 215.138969421387 228697.65625 100 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4903 231.097595214844 136025.984375 59.48 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4904 231.119110107422 6252.3779296875 2.73 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4905 231.143371582031 3239.9208984375 1.42 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4906 238.79475402832 3672.62524414062 1.61 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4907 242.328903198242 3181.13891601562 1.39 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4908 243.1337890625 47365.04296875 20.71 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4909 249.107627868652 8284.73291015625 3.62 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4910 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4911 RECORD_TITLE: MZ:363.1562 | RT:69.7 | grpid:518 | file:NA |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4912 MS$FOCUSED_ION: PRECURSOR_M/Z 363.156167686281 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4913 AC$CHROMATOGRAPHY: RETENTION_TIME 69.717042 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4914 XCMS groupid (grpid): 518 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4915 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4916 PK$NUM_PEAK: 20 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4917 PK$PEAK: m/z int. rel.int. |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4918 100.313407897949 6955.587890625 2.25 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4919 103.620452880859 5906.43359375 1.91 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4920 119.049404144287 67519.607421875 21.83 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4921 120.495223999023 7355.00341796875 2.38 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4922 123.0442237854 108176.8671875 34.98 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4923 124.589881896973 6751.685546875 2.18 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4924 136.075706481934 309278.046875 100 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4925 147.044059753418 50436.212890625 16.31 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4926 152.85009765625 7171.017578125 2.32 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4927 160.325393676758 6112.95458984375 1.98 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4928 165.054527282715 239925.640625 77.58 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4929 182.081161499023 135656.0546875 43.86 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4930 215.139312744141 8024.45361328125 2.59 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4931 216.112907409668 12928.3149414062 4.18 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4932 216.143112182617 8893.7724609375 2.88 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4933 246.316207885742 5869.61962890625 1.9 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4934 253.381652832031 6271.06396484375 2.03 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4935 351.907806396484 7833.08203125 2.53 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4936 353.493469238281 6891.98046875 2.23 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4937 362.615264892578 7317.9599609375 2.37 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4938 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4939 RECORD_TITLE: MZ:363.1562 | RT:69.7 | grpid:518 | file:NA |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4940 MS$FOCUSED_ION: PRECURSOR_M/Z 363.156167686281 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4941 AC$CHROMATOGRAPHY: RETENTION_TIME 69.717042 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4942 XCMS groupid (grpid): 518 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4943 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4944 PK$NUM_PEAK: 20 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4945 PK$PEAK: m/z int. rel.int. |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4946 100.313407897949 6955.587890625 2.25 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4947 103.620452880859 5906.43359375 1.91 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4948 119.049404144287 67519.607421875 21.83 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4949 120.495223999023 7355.00341796875 2.38 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4950 123.0442237854 108176.8671875 34.98 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4951 124.589881896973 6751.685546875 2.18 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4952 136.075706481934 309278.046875 100 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4953 147.044059753418 50436.212890625 16.31 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4954 152.85009765625 7171.017578125 2.32 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4955 160.325393676758 6112.95458984375 1.98 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4956 165.054527282715 239925.640625 77.58 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4957 182.081161499023 135656.0546875 43.86 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4958 215.139312744141 8024.45361328125 2.59 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4959 216.112907409668 12928.3149414062 4.18 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4960 216.143112182617 8893.7724609375 2.88 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4961 246.316207885742 5869.61962890625 1.9 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4962 253.381652832031 6271.06396484375 2.03 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4963 351.907806396484 7833.08203125 2.53 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4964 353.493469238281 6891.98046875 2.23 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4965 362.615264892578 7317.9599609375 2.37 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4966 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4967 RECORD_TITLE: MZ:369.1509 | RT:118.6 | grpid:537 | file:NA |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4968 MS$FOCUSED_ION: PRECURSOR_M/Z 369.150928816373 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4969 AC$CHROMATOGRAPHY: RETENTION_TIME 118.583076 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4970 XCMS groupid (grpid): 537 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4971 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4972 PK$NUM_PEAK: 5 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4973 PK$PEAK: m/z int. rel.int. |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4974 113.532424926758 3462.68896484375 100 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4975 117.139762878418 3111.56518554688 89.86 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4976 141.411041259766 2775.10424804688 80.14 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4977 159.579620361328 2853.40112304688 82.4 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4978 165.934677124023 2729.99926757812 78.84 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4979 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4980 RECORD_TITLE: MZ:369.1509 | RT:118.6 | grpid:537 | file:NA |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4981 MS$FOCUSED_ION: PRECURSOR_M/Z 369.150928816373 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4982 AC$CHROMATOGRAPHY: RETENTION_TIME 118.583076 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4983 XCMS groupid (grpid): 537 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4984 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4985 PK$NUM_PEAK: 5 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4986 PK$PEAK: m/z int. rel.int. |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4987 113.532424926758 3462.68896484375 100 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4988 117.139762878418 3111.56518554688 89.86 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4989 141.411041259766 2775.10424804688 80.14 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4990 159.579620361328 2853.40112304688 82.4 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4991 165.934677124023 2729.99926757812 78.84 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4992 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4993 RECORD_TITLE: MZ:375.1875 | RT:51.4 | grpid:551 | file:NA |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4994 MS$FOCUSED_ION: PRECURSOR_M/Z 375.187492298947 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4995 AC$CHROMATOGRAPHY: RETENTION_TIME 51.4450368 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4996 XCMS groupid (grpid): 551 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4997 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4998 PK$NUM_PEAK: 23 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
4999 PK$PEAK: m/z int. rel.int. |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5000 101.071403503418 12982.2459716797 22.05 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5001 102.055458068848 19944.7926025391 33.88 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5002 116.034637451172 3510.90710449219 5.96 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5003 129.066040039062 10699.6577148438 18.18 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5004 129.102325439453 13277.869140625 22.56 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5005 130.049957275391 58865.9428710938 100 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5006 130.086296081543 5697.1201171875 9.68 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5007 133.060848236084 14135.4111328125 24.01 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5008 134.044826507568 12062.333984375 20.49 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5009 138.091274261475 4080.06127929688 6.93 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5010 141.102306365967 11987.3245849609 20.36 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5011 147.076362609863 49614.8515625 84.28 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5012 148.060459136963 4352.32922363281 7.39 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5013 155.117980957031 10163.3474121094 17.27 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5014 183.11319732666 11204.8664550781 19.03 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5015 187.107566833496 30181.8891601562 51.27 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5016 196.144451141357 15253.4743652344 25.91 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5017 197.128623962402 19183.3891601562 32.59 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5018 200.139324188232 15710.8400878906 26.69 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5019 201.123405456543 35459.3984375 60.24 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5020 215.139488220215 23211.8754882812 39.43 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5021 229.118267059326 6735.91967773438 11.44 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5022 244.092918395996 9322.70654296875 15.84 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5023 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5024 RECORD_TITLE: MZ:375.1875 | RT:51.4 | grpid:551 | file:NA |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5025 MS$FOCUSED_ION: PRECURSOR_M/Z 375.187492298947 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5026 AC$CHROMATOGRAPHY: RETENTION_TIME 51.4450368 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5027 XCMS groupid (grpid): 551 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5028 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5029 PK$NUM_PEAK: 23 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5030 PK$PEAK: m/z int. rel.int. |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5031 101.071403503418 12982.2459716797 22.05 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5032 102.055458068848 19944.7926025391 33.88 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5033 116.034637451172 3510.90710449219 5.96 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5034 129.066040039062 10699.6577148438 18.18 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5035 129.102325439453 13277.869140625 22.56 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5036 130.049957275391 58865.9428710938 100 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5037 130.086296081543 5697.1201171875 9.68 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5038 133.060848236084 14135.4111328125 24.01 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5039 134.044826507568 12062.333984375 20.49 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5040 138.091274261475 4080.06127929688 6.93 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5041 141.102306365967 11987.3245849609 20.36 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5042 147.076362609863 49614.8515625 84.28 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5043 148.060459136963 4352.32922363281 7.39 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5044 155.117980957031 10163.3474121094 17.27 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5045 183.11319732666 11204.8664550781 19.03 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5046 187.107566833496 30181.8891601562 51.27 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5047 196.144451141357 15253.4743652344 25.91 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5048 197.128623962402 19183.3891601562 32.59 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5049 200.139324188232 15710.8400878906 26.69 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5050 201.123405456543 35459.3984375 60.24 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5051 215.139488220215 23211.8754882812 39.43 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5052 229.118267059326 6735.91967773438 11.44 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5053 244.092918395996 9322.70654296875 15.84 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5054 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5055 RECORD_TITLE: MZ:394.1621 | RT:112 | grpid:596 | file:NA |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5056 MS$FOCUSED_ION: PRECURSOR_M/Z 394.162103579203 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5057 AC$CHROMATOGRAPHY: RETENTION_TIME 111.9768 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5058 XCMS groupid (grpid): 596 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5059 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5060 PK$NUM_PEAK: 29 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5061 PK$PEAK: m/z int. rel.int. |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5062 102.766708374023 3929.609375 7.5 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5063 117.806762695312 3366.19604492188 6.43 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5064 118.686012268066 3622.3388671875 6.91 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5065 123.743171691895 3217.89379882812 6.14 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5066 125.071136474609 12022.4211425781 22.95 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5067 128.317962646484 2899.56469726562 5.53 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5068 136.075866699219 23457.38671875 44.78 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5069 142.836349487305 3245.5166015625 6.2 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5070 147.454162597656 3399.47290039062 6.49 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5071 151.377349853516 3015.4287109375 5.76 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5072 155.045272827148 3647.17114257812 6.96 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5073 165.054244995117 5754.60986328125 10.98 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5074 167.081008911133 6179.26220703125 11.8 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5075 167.082138061523 5944.7177734375 11.35 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5076 175.066543579102 3524.22631835938 6.73 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5077 182.081329345703 4438.41357421875 8.47 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5078 185.092002868652 52388.046875 100 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5079 196.059860229492 4624.06640625 8.83 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5080 196.061447143555 4606.38916015625 8.79 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5081 211.785034179688 3312.98022460938 6.32 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5082 213.086883544922 6513.75048828125 12.43 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5083 243.112808227539 6943.72216796875 13.25 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5084 243.903228759766 3231.54345703125 6.17 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5085 279.134262084961 20368.2421875 38.88 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5086 317.111999511719 7535.61669921875 14.38 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5087 317.114227294922 13560.7890625 25.89 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5088 359.123138427734 5193.3125 9.91 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5089 359.126098632812 3799.70556640625 7.25 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5090 394.346771240234 3509.42309570312 6.7 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5091 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5092 RECORD_TITLE: MZ:394.1621 | RT:112 | grpid:596 | file:NA |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5093 MS$FOCUSED_ION: PRECURSOR_M/Z 394.162103579203 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5094 AC$CHROMATOGRAPHY: RETENTION_TIME 111.9768 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5095 XCMS groupid (grpid): 596 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5096 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5097 PK$NUM_PEAK: 29 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5098 PK$PEAK: m/z int. rel.int. |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5099 102.766708374023 3929.609375 7.5 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5100 117.806762695312 3366.19604492188 6.43 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5101 118.686012268066 3622.3388671875 6.91 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5102 123.743171691895 3217.89379882812 6.14 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5103 125.071136474609 12022.4211425781 22.95 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5104 128.317962646484 2899.56469726562 5.53 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5105 136.075866699219 23457.38671875 44.78 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5106 142.836349487305 3245.5166015625 6.2 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5107 147.454162597656 3399.47290039062 6.49 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5108 151.377349853516 3015.4287109375 5.76 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5109 155.045272827148 3647.17114257812 6.96 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5110 165.054244995117 5754.60986328125 10.98 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5111 167.081008911133 6179.26220703125 11.8 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5112 167.082138061523 5944.7177734375 11.35 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5113 175.066543579102 3524.22631835938 6.73 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5114 182.081329345703 4438.41357421875 8.47 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5115 185.092002868652 52388.046875 100 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5116 196.059860229492 4624.06640625 8.83 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5117 196.061447143555 4606.38916015625 8.79 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5118 211.785034179688 3312.98022460938 6.32 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5119 213.086883544922 6513.75048828125 12.43 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5120 243.112808227539 6943.72216796875 13.25 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5121 243.903228759766 3231.54345703125 6.17 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5122 279.134262084961 20368.2421875 38.88 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5123 317.111999511719 7535.61669921875 14.38 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5124 317.114227294922 13560.7890625 25.89 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5125 359.123138427734 5193.3125 9.91 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5126 359.126098632812 3799.70556640625 7.25 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5127 394.346771240234 3509.42309570312 6.7 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5128 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5129 RECORD_TITLE: MZ:401.0617 | RT:34 | grpid:612 | file:NA |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5130 MS$FOCUSED_ION: PRECURSOR_M/Z 401.061711739436 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5131 AC$CHROMATOGRAPHY: RETENTION_TIME 34.0415226 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5132 XCMS groupid (grpid): 612 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5133 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5134 PK$NUM_PEAK: 46 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5135 PK$PEAK: m/z int. rel.int. |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5136 100.988891601562 43947.080078125 1.04 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5137 101.309761047363 3056.51245117188 0.07 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5138 108.061096191406 3763.66381835938 0.09 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5139 109.599235534668 2997.06420898438 0.07 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5140 116.995037078857 111392.933898926 2.63 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5141 123.777450561523 8107.2958984375 0.19 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5142 124.999862670898 51841.46484375 1.22 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5143 136.999862670898 251506.359375 5.93 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5144 140.010749816895 95939.6484375 2.26 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5145 140.450241088867 8842.6044921875 0.21 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5146 140.528503417969 8499.00390625 0.2 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5147 141.789901733398 3405.86743164062 0.08 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5148 155.010334014893 4240725.03125 100 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5149 156.013954162598 17596.9311523438 0.41 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5150 157.014739990234 87486.65625 2.06 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5151 159.085784912109 3452.07983398438 0.08 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5152 169.349212646484 3243.4013671875 0.08 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5153 173.020824432373 353005.354003906 8.32 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5154 173.036026000977 18195.396484375 0.43 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5155 173.584411621094 3040.2529296875 0.07 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5156 175.025650024414 10171.7297363281 0.24 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5157 178.950508117676 33158.3759765625 0.78 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5158 193.485229492188 3269.10034179688 0.08 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5159 195.501876831055 7862.93017578125 0.19 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5160 196.037071228027 49913.736328125 1.18 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5161 201.402801513672 7493.45556640625 0.18 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5162 211.036575317383 265732.752563477 6.27 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5163 213.039443969727 4484.9384765625 0.11 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5164 213.640502929688 9425.62890625 0.22 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5165 216.965675354004 142565.0078125 3.36 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5166 222.872299194336 7800.2646484375 0.18 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5167 229.047023773193 386616.955200195 9.12 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5168 229.070068359375 19001.33984375 0.45 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5169 231.051681518555 5354.7197265625 0.13 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5170 234.976566314697 479061.331665039 11.3 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5171 236.981048583984 5037.50830078125 0.12 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5172 247.057487487793 131127.1796875 3.09 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5173 254.277374267578 4000.4482421875 0.09 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5174 257.992340087891 16358.1513671875 0.39 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5175 291.002975463867 203816.6875 4.81 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5176 309.013046264648 24559.9672851562 0.58 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5177 311.400085449219 10430.2568359375 0.25 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5178 364.542114257812 7702.04541015625 0.18 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5179 373.381866455078 3680.00122070312 0.09 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5180 376.881713867188 8704.376953125 0.21 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5181 404.745391845703 7731.3017578125 0.18 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5182 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5183 RECORD_TITLE: MZ:401.0617 | RT:34 | grpid:612 | file:NA |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5184 MS$FOCUSED_ION: PRECURSOR_M/Z 401.061711739436 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5185 AC$CHROMATOGRAPHY: RETENTION_TIME 34.0415226 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5186 XCMS groupid (grpid): 612 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5187 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5188 PK$NUM_PEAK: 46 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5189 PK$PEAK: m/z int. rel.int. |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5190 100.988891601562 43947.080078125 1.04 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5191 101.309761047363 3056.51245117188 0.07 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5192 108.061096191406 3763.66381835938 0.09 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5193 109.599235534668 2997.06420898438 0.07 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5194 116.995037078857 111392.933898926 2.63 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5195 123.777450561523 8107.2958984375 0.19 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5196 124.999862670898 51841.46484375 1.22 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5197 136.999862670898 251506.359375 5.93 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5198 140.010749816895 95939.6484375 2.26 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5199 140.450241088867 8842.6044921875 0.21 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5200 140.528503417969 8499.00390625 0.2 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5201 141.789901733398 3405.86743164062 0.08 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5202 155.010334014893 4240725.03125 100 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5203 156.013954162598 17596.9311523438 0.41 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5204 157.014739990234 87486.65625 2.06 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5205 159.085784912109 3452.07983398438 0.08 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5206 169.349212646484 3243.4013671875 0.08 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5207 173.020824432373 353005.354003906 8.32 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5208 173.036026000977 18195.396484375 0.43 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5209 173.584411621094 3040.2529296875 0.07 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5210 175.025650024414 10171.7297363281 0.24 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5211 178.950508117676 33158.3759765625 0.78 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5212 193.485229492188 3269.10034179688 0.08 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5213 195.501876831055 7862.93017578125 0.19 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5214 196.037071228027 49913.736328125 1.18 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5215 201.402801513672 7493.45556640625 0.18 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5216 211.036575317383 265732.752563477 6.27 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5217 213.039443969727 4484.9384765625 0.11 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5218 213.640502929688 9425.62890625 0.22 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5219 216.965675354004 142565.0078125 3.36 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5220 222.872299194336 7800.2646484375 0.18 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5221 229.047023773193 386616.955200195 9.12 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5222 229.070068359375 19001.33984375 0.45 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5223 231.051681518555 5354.7197265625 0.13 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5224 234.976566314697 479061.331665039 11.3 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5225 236.981048583984 5037.50830078125 0.12 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5226 247.057487487793 131127.1796875 3.09 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5227 254.277374267578 4000.4482421875 0.09 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5228 257.992340087891 16358.1513671875 0.39 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5229 291.002975463867 203816.6875 4.81 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5230 309.013046264648 24559.9672851562 0.58 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5231 311.400085449219 10430.2568359375 0.25 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5232 364.542114257812 7702.04541015625 0.18 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5233 373.381866455078 3680.00122070312 0.09 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5234 376.881713867188 8704.376953125 0.21 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5235 404.745391845703 7731.3017578125 0.18 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5236 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5237 RECORD_TITLE: MZ:404.1419 | RT:126.2 | grpid:618 | file:NA |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5238 MS$FOCUSED_ION: PRECURSOR_M/Z 404.141901772703 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5239 AC$CHROMATOGRAPHY: RETENTION_TIME 126.186204 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5240 XCMS groupid (grpid): 618 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5241 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5242 PK$NUM_PEAK: 12 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5243 PK$PEAK: m/z int. rel.int. |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5244 136.051010131836 4214.84375 1.59 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5245 136.061767578125 170576.3046875 64.29 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5246 137.045783996582 265340.859375 100 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5247 149.350723266602 2960.25122070312 1.12 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5248 152.028915405273 3706.61962890625 1.4 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5249 155.559341430664 3138.55590820312 1.18 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5250 176.857574462891 3244.943359375 1.22 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5251 191.558868408203 3635.75805664062 1.37 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5252 207.745498657227 2866.4462890625 1.08 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5253 215.409362792969 3903.9443359375 1.47 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5254 254.295944213867 4236.8359375 1.6 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5255 305.455352783203 3670.34033203125 1.38 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5256 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5257 RECORD_TITLE: MZ:404.1419 | RT:126.2 | grpid:618 | file:NA |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5258 MS$FOCUSED_ION: PRECURSOR_M/Z 404.141901772703 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5259 AC$CHROMATOGRAPHY: RETENTION_TIME 126.186204 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5260 XCMS groupid (grpid): 618 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5261 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5262 PK$NUM_PEAK: 12 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5263 PK$PEAK: m/z int. rel.int. |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5264 136.051010131836 4214.84375 1.59 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5265 136.061767578125 170576.3046875 64.29 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5266 137.045783996582 265340.859375 100 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5267 149.350723266602 2960.25122070312 1.12 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5268 152.028915405273 3706.61962890625 1.4 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5269 155.559341430664 3138.55590820312 1.18 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5270 176.857574462891 3244.943359375 1.22 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5271 191.558868408203 3635.75805664062 1.37 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5272 207.745498657227 2866.4462890625 1.08 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5273 215.409362792969 3903.9443359375 1.47 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5274 254.295944213867 4236.8359375 1.6 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5275 305.455352783203 3670.34033203125 1.38 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5276 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5277 RECORD_TITLE: MZ:407.2046 | RT:72.2 | grpid:625 | file:NA |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5278 MS$FOCUSED_ION: PRECURSOR_M/Z 407.204554471595 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5279 AC$CHROMATOGRAPHY: RETENTION_TIME 72.171048 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5280 XCMS groupid (grpid): 625 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5281 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5282 PK$NUM_PEAK: 31 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5283 PK$PEAK: m/z int. rel.int. |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5284 102.055419921875 29241.109375 5.9 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5285 104.053215026855 36839.7578125 7.44 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5286 109.02864074707 18452.52734375 3.72 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5287 111.270988464355 3561.50805664062 0.72 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5288 116.052536010742 3233.939453125 0.65 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5289 116.070777893066 13699.947265625 2.77 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5290 126.055152893066 96099.703125 19.4 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5291 127.451728820801 3604.42553710938 0.73 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5292 130.050262451172 4331.92431640625 0.87 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5293 132.102096557617 40127.29296875 8.1 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5294 138.054977416992 495429.3125 100 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5295 143.08235168457 5169.75390625 1.04 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5296 144.0654296875 110722.25 22.35 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5297 144.076126098633 5807.7001953125 1.17 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5298 159.075912475586 12614.484375 2.55 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5299 161.074722290039 4780.4208984375 0.96 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5300 163.027908325195 3617.16259765625 0.73 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5301 168.065414428711 104829.1171875 21.16 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5302 171.076583862305 7918.15283203125 1.6 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5303 173.12809753418 6250.19384765625 1.26 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5304 179.168167114258 3541.37573242188 0.71 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5305 186.075805664062 92374.96875 18.65 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5306 187.071105957031 19836.36328125 4 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5307 189.06901550293 20552.5390625 4.15 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5308 189.086181640625 6041.65234375 1.22 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5309 201.086990356445 23055.71875 4.65 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5310 270.140502929688 3485.42749023438 0.7 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5311 276.108459472656 36373.86328125 7.34 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5312 293.534423828125 3759.82836914062 0.76 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5313 302.942840576172 3783.8955078125 0.76 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5314 344.885498046875 3337.09936523438 0.67 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5315 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5316 RECORD_TITLE: MZ:407.2046 | RT:72.2 | grpid:625 | file:NA |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5317 MS$FOCUSED_ION: PRECURSOR_M/Z 407.204554471595 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5318 AC$CHROMATOGRAPHY: RETENTION_TIME 72.171048 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5319 XCMS groupid (grpid): 625 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5320 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5321 PK$NUM_PEAK: 31 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5322 PK$PEAK: m/z int. rel.int. |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5323 102.055419921875 29241.109375 5.9 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5324 104.053215026855 36839.7578125 7.44 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5325 109.02864074707 18452.52734375 3.72 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5326 111.270988464355 3561.50805664062 0.72 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5327 116.052536010742 3233.939453125 0.65 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5328 116.070777893066 13699.947265625 2.77 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5329 126.055152893066 96099.703125 19.4 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5330 127.451728820801 3604.42553710938 0.73 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5331 130.050262451172 4331.92431640625 0.87 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5332 132.102096557617 40127.29296875 8.1 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5333 138.054977416992 495429.3125 100 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5334 143.08235168457 5169.75390625 1.04 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5335 144.0654296875 110722.25 22.35 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5336 144.076126098633 5807.7001953125 1.17 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5337 159.075912475586 12614.484375 2.55 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5338 161.074722290039 4780.4208984375 0.96 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5339 163.027908325195 3617.16259765625 0.73 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5340 168.065414428711 104829.1171875 21.16 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5341 171.076583862305 7918.15283203125 1.6 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5342 173.12809753418 6250.19384765625 1.26 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5343 179.168167114258 3541.37573242188 0.71 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5344 186.075805664062 92374.96875 18.65 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5345 187.071105957031 19836.36328125 4 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5346 189.06901550293 20552.5390625 4.15 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5347 189.086181640625 6041.65234375 1.22 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5348 201.086990356445 23055.71875 4.65 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5349 270.140502929688 3485.42749023438 0.7 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5350 276.108459472656 36373.86328125 7.34 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5351 293.534423828125 3759.82836914062 0.76 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5352 302.942840576172 3783.8955078125 0.76 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5353 344.885498046875 3337.09936523438 0.67 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5354 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5355 RECORD_TITLE: MZ:414.2346 | RT:113.6 | grpid:641 | file:NA |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5356 MS$FOCUSED_ION: PRECURSOR_M/Z 414.234577223874 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5357 AC$CHROMATOGRAPHY: RETENTION_TIME 113.597328 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5358 XCMS groupid (grpid): 641 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5359 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5360 PK$NUM_PEAK: 11 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5361 PK$PEAK: m/z int. rel.int. |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5362 101.072120666504 3460.662109375 2.89 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5363 130.050003051758 23700.412109375 19.76 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5364 143.118316650391 6467.0634765625 5.39 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5365 147.076400756836 57435.73046875 47.89 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5366 171.114654541016 3607.89379882812 3.01 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5367 187.107620239258 12488.6435546875 10.41 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5368 212.347091674805 2953.01245117188 2.46 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5369 227.102462768555 13762.5078125 11.47 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5370 244.129257202148 119940.1875 100 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5371 291.886047363281 3740.046875 3.12 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5372 299.767974853516 4064.77465820312 3.39 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5373 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5374 RECORD_TITLE: MZ:414.2346 | RT:113.6 | grpid:641 | file:NA |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5375 MS$FOCUSED_ION: PRECURSOR_M/Z 414.234577223874 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5376 AC$CHROMATOGRAPHY: RETENTION_TIME 113.597328 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5377 XCMS groupid (grpid): 641 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5378 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5379 PK$NUM_PEAK: 11 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5380 PK$PEAK: m/z int. rel.int. |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5381 101.072120666504 3460.662109375 2.89 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5382 130.050003051758 23700.412109375 19.76 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5383 143.118316650391 6467.0634765625 5.39 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5384 147.076400756836 57435.73046875 47.89 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5385 171.114654541016 3607.89379882812 3.01 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5386 187.107620239258 12488.6435546875 10.41 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5387 212.347091674805 2953.01245117188 2.46 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5388 227.102462768555 13762.5078125 11.47 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5389 244.129257202148 119940.1875 100 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5390 291.886047363281 3740.046875 3.12 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5391 299.767974853516 4064.77465820312 3.39 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5392 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5393 RECORD_TITLE: MZ:417.2097 | RT:77.5 | grpid:651 | file:NA |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5394 MS$FOCUSED_ION: PRECURSOR_M/Z 417.20974572592 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5395 AC$CHROMATOGRAPHY: RETENTION_TIME 77.474424 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5396 XCMS groupid (grpid): 651 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5397 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5398 PK$NUM_PEAK: 50 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5399 PK$PEAK: m/z int. rel.int. |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5400 101.071632385254 21183.01171875 8.79 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5401 110.024345397949 4356.50732421875 1.81 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5402 115.050491333008 95092.8828125 39.44 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5403 115.058029174805 5113.0302734375 2.12 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5404 125.035163879395 3798.44970703125 1.58 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5405 128.03466796875 7057.6240234375 2.93 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5406 129.066192626953 14344.888671875 5.95 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5407 132.076797485352 241117.15625 100 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5408 136.039596557617 19952.20703125 8.27 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5409 138.091293334961 7483.42236328125 3.1 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5410 139.050628662109 14222.2255859375 5.9 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5411 139.131530761719 3395.9853515625 1.41 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5412 153.06575012207 6803.0126953125 2.82 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5413 156.076614379883 6305.38037109375 2.62 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5414 164.034301757812 8484.1953125 3.52 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5415 167.044952392578 8397.5390625 3.48 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5416 170.983276367188 3608.68090820312 1.5 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5417 181.060546875 27577.30859375 11.44 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5418 182.129257202148 23290.46875 9.66 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5419 183.112838745117 27057.6171875 11.22 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5420 183.282043457031 3755.23095703125 1.56 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5421 184.071365356445 23913.513671875 9.92 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5422 185.092208862305 13970.9443359375 5.79 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5423 198.087966918945 5590.96142578125 2.32 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5424 201.086441040039 5095.77099609375 2.11 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5425 209.055572509766 59876.9453125 24.83 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5426 211.107772827148 12975.3623046875 5.38 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5427 213.087799072266 5400.66064453125 2.24 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5428 215.114074707031 5145.68017578125 2.13 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5429 220.108795166016 14700.2373046875 6.1 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5430 221.093078613281 4728.6259765625 1.96 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5431 226.082061767578 96564.5859375 40.05 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5432 226.604354858398 3716.79638671875 1.54 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5433 237.134994506836 4390.27392578125 1.82 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5434 238.118011474609 13940.3623046875 5.78 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5435 243.108535766602 103141.328125 42.78 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5436 263.102355957031 24783.052734375 10.28 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5437 266.114227294922 19456.26953125 8.07 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5438 279.144805908203 32799.67578125 13.6 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5439 280.128326416016 29510.955078125 12.24 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5440 283.140472412109 6341.9501953125 2.63 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5441 285.156372070312 5746.60009765625 2.38 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5442 303.174591064453 3790.90161132812 1.57 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5443 304.180053710938 17383.96875 7.21 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5444 308.125305175781 15675.556640625 6.5 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5445 324.118499755859 8504.177734375 3.53 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5446 325.152770996094 6104.4619140625 2.53 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5447 342.175933837891 6313.189453125 2.62 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5448 372.336669921875 3619.55493164062 1.5 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5449 382.172210693359 4940.5458984375 2.05 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5450 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5451 RECORD_TITLE: MZ:417.2097 | RT:77.5 | grpid:651 | file:NA |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5452 MS$FOCUSED_ION: PRECURSOR_M/Z 417.20974572592 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5453 AC$CHROMATOGRAPHY: RETENTION_TIME 77.474424 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5454 XCMS groupid (grpid): 651 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5455 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5456 PK$NUM_PEAK: 50 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5457 PK$PEAK: m/z int. rel.int. |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5458 101.071632385254 21183.01171875 8.79 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5459 110.024345397949 4356.50732421875 1.81 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5460 115.050491333008 95092.8828125 39.44 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5461 115.058029174805 5113.0302734375 2.12 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5462 125.035163879395 3798.44970703125 1.58 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5463 128.03466796875 7057.6240234375 2.93 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5464 129.066192626953 14344.888671875 5.95 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5465 132.076797485352 241117.15625 100 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5466 136.039596557617 19952.20703125 8.27 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5467 138.091293334961 7483.42236328125 3.1 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5468 139.050628662109 14222.2255859375 5.9 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5469 139.131530761719 3395.9853515625 1.41 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5470 153.06575012207 6803.0126953125 2.82 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5471 156.076614379883 6305.38037109375 2.62 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5472 164.034301757812 8484.1953125 3.52 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5473 167.044952392578 8397.5390625 3.48 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5474 170.983276367188 3608.68090820312 1.5 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5475 181.060546875 27577.30859375 11.44 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5476 182.129257202148 23290.46875 9.66 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5477 183.112838745117 27057.6171875 11.22 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5478 183.282043457031 3755.23095703125 1.56 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5479 184.071365356445 23913.513671875 9.92 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5480 185.092208862305 13970.9443359375 5.79 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5481 198.087966918945 5590.96142578125 2.32 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5482 201.086441040039 5095.77099609375 2.11 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5483 209.055572509766 59876.9453125 24.83 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5484 211.107772827148 12975.3623046875 5.38 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5485 213.087799072266 5400.66064453125 2.24 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5486 215.114074707031 5145.68017578125 2.13 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5487 220.108795166016 14700.2373046875 6.1 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5488 221.093078613281 4728.6259765625 1.96 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5489 226.082061767578 96564.5859375 40.05 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5490 226.604354858398 3716.79638671875 1.54 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5491 237.134994506836 4390.27392578125 1.82 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5492 238.118011474609 13940.3623046875 5.78 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5493 243.108535766602 103141.328125 42.78 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5494 263.102355957031 24783.052734375 10.28 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5495 266.114227294922 19456.26953125 8.07 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5496 279.144805908203 32799.67578125 13.6 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5497 280.128326416016 29510.955078125 12.24 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5498 283.140472412109 6341.9501953125 2.63 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5499 285.156372070312 5746.60009765625 2.38 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5500 303.174591064453 3790.90161132812 1.57 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5501 304.180053710938 17383.96875 7.21 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5502 308.125305175781 15675.556640625 6.5 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5503 324.118499755859 8504.177734375 3.53 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5504 325.152770996094 6104.4619140625 2.53 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5505 342.175933837891 6313.189453125 2.62 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5506 372.336669921875 3619.55493164062 1.5 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5507 382.172210693359 4940.5458984375 2.05 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5508 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5509 RECORD_TITLE: MZ:422.2455 | RT:77.3 | grpid:661 | file:NA |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5510 MS$FOCUSED_ION: PRECURSOR_M/Z 422.245503008018 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5511 AC$CHROMATOGRAPHY: RETENTION_TIME 77.267322 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5512 XCMS groupid (grpid): 661 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5513 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5514 PK$NUM_PEAK: 19 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5515 PK$PEAK: m/z int. rel.int. |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5516 102.055618286133 3558.69995117188 16.65 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5517 120.080558776855 4530.3798828125 21.19 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5518 120.081420898438 3910.62768554688 18.29 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5519 132.102210998535 3878.61560058594 18.14 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5520 139.996002197266 3161.169921875 14.79 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5521 152.552886962891 3656.74609375 17.1 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5522 164.107551574707 5284.36694335938 24.72 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5523 169.504211425781 3314.57250976562 15.5 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5524 174.759521484375 3360.31762695312 15.72 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5525 230.140182495117 3358.00244140625 15.71 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5526 241.255187988281 3994.02172851562 18.68 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5527 243.135665893555 3991.35827636719 18.67 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5528 244.20588684082 3930.2548828125 18.38 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5529 267.45654296875 4267.03759765625 19.96 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5530 339.154739379883 21379.2734375 100 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5531 387.176788330078 4423.681640625 20.69 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5532 404.268035888672 3815.27880859375 17.85 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5533 438.548736572266 3631.70874023438 16.99 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5534 442.898986816406 3885.36962890625 18.17 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5535 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5536 RECORD_TITLE: MZ:422.2455 | RT:77.3 | grpid:661 | file:NA |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5537 MS$FOCUSED_ION: PRECURSOR_M/Z 422.245503008018 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5538 AC$CHROMATOGRAPHY: RETENTION_TIME 77.267322 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5539 XCMS groupid (grpid): 661 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5540 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5541 PK$NUM_PEAK: 19 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5542 PK$PEAK: m/z int. rel.int. |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5543 102.055618286133 3558.69995117188 16.65 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5544 120.080558776855 4530.3798828125 21.19 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5545 120.081420898438 3910.62768554688 18.29 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5546 132.102210998535 3878.61560058594 18.14 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5547 139.996002197266 3161.169921875 14.79 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5548 152.552886962891 3656.74609375 17.1 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5549 164.107551574707 5284.36694335938 24.72 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5550 169.504211425781 3314.57250976562 15.5 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5551 174.759521484375 3360.31762695312 15.72 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5552 230.140182495117 3358.00244140625 15.71 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5553 241.255187988281 3994.02172851562 18.68 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5554 243.135665893555 3991.35827636719 18.67 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5555 244.20588684082 3930.2548828125 18.38 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5556 267.45654296875 4267.03759765625 19.96 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5557 339.154739379883 21379.2734375 100 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5558 387.176788330078 4423.681640625 20.69 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5559 404.268035888672 3815.27880859375 17.85 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5560 438.548736572266 3631.70874023438 16.99 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5561 442.898986816406 3885.36962890625 18.17 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5562 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5563 RECORD_TITLE: MZ:423.1908 | RT:84.2 | grpid:664 | file:NA |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5564 MS$FOCUSED_ION: PRECURSOR_M/Z 423.190755443941 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5565 AC$CHROMATOGRAPHY: RETENTION_TIME 84.215802 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5566 XCMS groupid (grpid): 664 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5567 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5568 PK$NUM_PEAK: 25 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5569 PK$PEAK: m/z int. rel.int. |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5570 101.071411132812 46732.83203125 5.16 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5571 102.055374145508 88983.625 9.83 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5572 103.054443359375 24983.80859375 2.76 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5573 105.530052185059 3419.52978515625 0.38 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5574 110.183616638184 3628.88647460938 0.4 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5575 120.081016540527 905217.25 100 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5576 129.066268920898 31941.962890625 3.53 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5577 130.049987792969 396376.3125 43.79 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5578 131.049407958984 5914.91162109375 0.65 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5579 147.076416015625 280807.375 31.02 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5580 172.265274047852 3955.26342773438 0.44 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5581 186.091079711914 48435.109375 5.35 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5582 195.076812744141 14915.5986328125 1.65 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5583 204.101287841797 5574.19091796875 0.62 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5584 206.006805419922 3512.30712890625 0.39 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5585 213.086929321289 7143.0380859375 0.79 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5586 223.071517944336 24099.07421875 2.66 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5587 231.111724853516 4500.54296875 0.5 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5588 240.097366333008 25176.005859375 2.78 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5589 241.081497192383 67114.1484375 7.41 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5590 249.123306274414 153377.234375 16.94 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5591 258.108184814453 74684.1171875 8.25 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5592 276.116180419922 4201.1201171875 0.46 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5593 277.118377685547 22414.9140625 2.48 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5594 410.809265136719 3803.65478515625 0.42 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5595 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5596 RECORD_TITLE: MZ:423.1908 | RT:84.2 | grpid:664 | file:NA |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5597 MS$FOCUSED_ION: PRECURSOR_M/Z 423.190755443941 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5598 AC$CHROMATOGRAPHY: RETENTION_TIME 84.215802 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5599 XCMS groupid (grpid): 664 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5600 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5601 PK$NUM_PEAK: 25 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5602 PK$PEAK: m/z int. rel.int. |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5603 101.071411132812 46732.83203125 5.16 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5604 102.055374145508 88983.625 9.83 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5605 103.054443359375 24983.80859375 2.76 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5606 105.530052185059 3419.52978515625 0.38 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5607 110.183616638184 3628.88647460938 0.4 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5608 120.081016540527 905217.25 100 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5609 129.066268920898 31941.962890625 3.53 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5610 130.049987792969 396376.3125 43.79 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5611 131.049407958984 5914.91162109375 0.65 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5612 147.076416015625 280807.375 31.02 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5613 172.265274047852 3955.26342773438 0.44 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5614 186.091079711914 48435.109375 5.35 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5615 195.076812744141 14915.5986328125 1.65 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5616 204.101287841797 5574.19091796875 0.62 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5617 206.006805419922 3512.30712890625 0.39 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5618 213.086929321289 7143.0380859375 0.79 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5619 223.071517944336 24099.07421875 2.66 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5620 231.111724853516 4500.54296875 0.5 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5621 240.097366333008 25176.005859375 2.78 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5622 241.081497192383 67114.1484375 7.41 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5623 249.123306274414 153377.234375 16.94 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5624 258.108184814453 74684.1171875 8.25 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5625 276.116180419922 4201.1201171875 0.46 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5626 277.118377685547 22414.9140625 2.48 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5627 410.809265136719 3803.65478515625 0.42 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5628 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5629 RECORD_TITLE: MZ:429.1368 | RT:71.2 | grpid:678 | file:NA |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5630 MS$FOCUSED_ION: PRECURSOR_M/Z 429.13678581444 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5631 AC$CHROMATOGRAPHY: RETENTION_TIME 71.233434 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5632 XCMS groupid (grpid): 678 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5633 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5634 PK$NUM_PEAK: 58 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5635 PK$PEAK: m/z int. rel.int. |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5636 100.022125244141 4625.44140625 0.65 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5637 100.719017028809 3763.74951171875 0.53 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5638 107.576271057129 4735.4990234375 0.67 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5639 109.076524734497 20480.990234375 2.88 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5640 110.071723937988 14743.712890625 2.07 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5641 110.401245117188 3418.24340820312 0.48 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5642 112.021869659424 79995.734375 11.25 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5643 113.366981506348 3165.77563476562 0.45 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5644 114.024883270264 11422.1201171875 1.61 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5645 114.037574768066 11824.7127685547 1.66 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5646 115.541198730469 3385.00244140625 0.48 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5647 121.469749450684 3152.97924804688 0.44 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5648 122.071641921997 6516.54113769531 0.92 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5649 126.233474731445 3327.49194335938 0.47 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5650 126.549896240234 3256.05395507812 0.46 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5651 127.032583236694 471138.859375 66.29 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5652 128.040386199951 710760.3125 100 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5653 129.048183441162 57302.4111328125 8.06 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5654 129.066558837891 4622.013671875 0.65 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5655 131.77490234375 3932.56909179688 0.55 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5656 136.077072143555 5147.11962890625 0.72 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5657 136.087074279785 21517.296875 3.03 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5658 137.094879150391 32409.6010742188 4.56 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5659 138.102600097656 28306.8862304688 3.98 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5660 139.032386779785 77151.568359375 10.85 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5661 140.118263244629 5251.27661132812 0.74 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5662 140.147064208984 3347.60473632812 0.47 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5663 141.048042297363 143646.43359375 20.21 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5664 142.019592285156 3923.31298828125 0.55 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5665 145.079452514648 3976.85620117188 0.56 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5666 155.081253051758 34531.5834960938 4.86 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5667 155.081878662109 42803.56640625 6.02 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5668 156.059150695801 3940.05224609375 0.55 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5669 158.311553955078 3326.94677734375 0.47 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5670 160.029987335205 27621.7407226562 3.89 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5671 160.364395141602 3934.6845703125 0.55 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5672 164.081844329834 6884.97021484375 0.97 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5673 167.027667999268 9330.1650390625 1.31 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5674 168.059448242188 6491.17895507812 0.91 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5675 169.067504882812 5221.84265136719 0.73 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5676 170.07458114624 154369.56640625 21.72 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5677 182.092395782471 375700.375 52.86 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5678 184.108131408691 22535.6166992188 3.17 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5679 185.037769317627 83031.794921875 11.68 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5680 192.237030029297 4258.80029296875 0.6 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5681 200.7451171875 3717.48681640625 0.52 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5682 208.914321899414 3762.73291015625 0.53 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5683 212.58805847168 3808.69091796875 0.54 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5684 214.06413269043 40119.607421875 5.64 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5685 215.071594238281 30723.140625 4.32 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5686 215.072902679443 19633.1513671875 2.76 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5687 216.080024719238 240310.37890625 33.81 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5688 217.347595214844 4307.0146484375 0.61 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5689 220.97737121582 4221.736328125 0.59 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5690 328.149810791016 4235.30517578125 0.6 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5691 429.137390136719 48311.54296875 6.8 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5692 429.18994140625 6761.64990234375 0.95 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5693 443.335296630859 3914.4736328125 0.55 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5694 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5695 RECORD_TITLE: MZ:429.1368 | RT:71.2 | grpid:678 | file:NA |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5696 MS$FOCUSED_ION: PRECURSOR_M/Z 429.13678581444 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5697 AC$CHROMATOGRAPHY: RETENTION_TIME 71.233434 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5698 XCMS groupid (grpid): 678 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5699 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5700 PK$NUM_PEAK: 58 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5701 PK$PEAK: m/z int. rel.int. |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5702 100.022125244141 4625.44140625 0.65 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5703 100.719017028809 3763.74951171875 0.53 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5704 107.576271057129 4735.4990234375 0.67 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5705 109.076524734497 20480.990234375 2.88 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5706 110.071723937988 14743.712890625 2.07 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5707 110.401245117188 3418.24340820312 0.48 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5708 112.021869659424 79995.734375 11.25 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5709 113.366981506348 3165.77563476562 0.45 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5710 114.024883270264 11422.1201171875 1.61 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5711 114.037574768066 11824.7127685547 1.66 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5712 115.541198730469 3385.00244140625 0.48 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5713 121.469749450684 3152.97924804688 0.44 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5714 122.071641921997 6516.54113769531 0.92 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5715 126.233474731445 3327.49194335938 0.47 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5716 126.549896240234 3256.05395507812 0.46 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5717 127.032583236694 471138.859375 66.29 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5718 128.040386199951 710760.3125 100 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5719 129.048183441162 57302.4111328125 8.06 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5720 129.066558837891 4622.013671875 0.65 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5721 131.77490234375 3932.56909179688 0.55 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5722 136.077072143555 5147.11962890625 0.72 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5723 136.087074279785 21517.296875 3.03 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5724 137.094879150391 32409.6010742188 4.56 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5725 138.102600097656 28306.8862304688 3.98 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5726 139.032386779785 77151.568359375 10.85 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5727 140.118263244629 5251.27661132812 0.74 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5728 140.147064208984 3347.60473632812 0.47 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5729 141.048042297363 143646.43359375 20.21 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5730 142.019592285156 3923.31298828125 0.55 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5731 145.079452514648 3976.85620117188 0.56 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5732 155.081253051758 34531.5834960938 4.86 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5733 155.081878662109 42803.56640625 6.02 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5734 156.059150695801 3940.05224609375 0.55 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5735 158.311553955078 3326.94677734375 0.47 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5736 160.029987335205 27621.7407226562 3.89 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5737 160.364395141602 3934.6845703125 0.55 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5738 164.081844329834 6884.97021484375 0.97 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5739 167.027667999268 9330.1650390625 1.31 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5740 168.059448242188 6491.17895507812 0.91 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5741 169.067504882812 5221.84265136719 0.73 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5742 170.07458114624 154369.56640625 21.72 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5743 182.092395782471 375700.375 52.86 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5744 184.108131408691 22535.6166992188 3.17 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5745 185.037769317627 83031.794921875 11.68 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5746 192.237030029297 4258.80029296875 0.6 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5747 200.7451171875 3717.48681640625 0.52 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5748 208.914321899414 3762.73291015625 0.53 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5749 212.58805847168 3808.69091796875 0.54 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5750 214.06413269043 40119.607421875 5.64 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5751 215.071594238281 30723.140625 4.32 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5752 215.072902679443 19633.1513671875 2.76 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5753 216.080024719238 240310.37890625 33.81 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5754 217.347595214844 4307.0146484375 0.61 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5755 220.97737121582 4221.736328125 0.59 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5756 328.149810791016 4235.30517578125 0.6 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5757 429.137390136719 48311.54296875 6.8 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5758 429.18994140625 6761.64990234375 0.95 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5759 443.335296630859 3914.4736328125 0.55 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5760 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5761 RECORD_TITLE: MZ:436.215 | RT:113.6 | grpid:699 | file:NA |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5762 MS$FOCUSED_ION: PRECURSOR_M/Z 436.215002909334 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5763 AC$CHROMATOGRAPHY: RETENTION_TIME 113.597328 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5764 XCMS groupid (grpid): 699 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5765 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5766 PK$NUM_PEAK: 10 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5767 PK$PEAK: m/z int. rel.int. |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5768 114.550689697266 3498.04321289062 3.12 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5769 126.055046081543 4136.9013671875 3.69 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5770 198.05632019043 3261.10668945312 2.91 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5771 211.105438232422 20831.2734375 18.6 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5772 238.933578491211 3566.369140625 3.18 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5773 308.157409667969 49625.7265625 44.32 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5774 308.725555419922 3355.22119140625 3 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5775 391.194641113281 36035.12109375 32.18 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5776 419.187896728516 22114.62890625 19.75 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5777 436.216918945312 111983.46875 100 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5778 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5779 RECORD_TITLE: MZ:436.215 | RT:113.6 | grpid:699 | file:NA |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5780 MS$FOCUSED_ION: PRECURSOR_M/Z 436.215002909334 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5781 AC$CHROMATOGRAPHY: RETENTION_TIME 113.597328 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5782 XCMS groupid (grpid): 699 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5783 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5784 PK$NUM_PEAK: 10 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5785 PK$PEAK: m/z int. rel.int. |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5786 114.550689697266 3498.04321289062 3.12 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5787 126.055046081543 4136.9013671875 3.69 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5788 198.05632019043 3261.10668945312 2.91 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5789 211.105438232422 20831.2734375 18.6 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5790 238.933578491211 3566.369140625 3.18 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5791 308.157409667969 49625.7265625 44.32 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5792 308.725555419922 3355.22119140625 3 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5793 391.194641113281 36035.12109375 32.18 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5794 419.187896728516 22114.62890625 19.75 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5795 436.216918945312 111983.46875 100 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5796 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5797 RECORD_TITLE: MZ:437.262 | RT:82.7 | grpid:705 | file:NA |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5798 MS$FOCUSED_ION: PRECURSOR_M/Z 437.26196926482 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5799 AC$CHROMATOGRAPHY: RETENTION_TIME 82.686066 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5800 XCMS groupid (grpid): 705 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5801 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5802 PK$NUM_PEAK: 21 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5803 PK$PEAK: m/z int. rel.int. |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5804 101.581962585449 3264.87109375 10.2 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5805 116.071166992188 3482.65063476562 10.88 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5806 132.101989746094 22861.818359375 71.43 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5807 140.506622314453 3661.59790039062 11.44 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5808 147.764419555664 3555.626953125 11.11 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5809 166.32194519043 3513.9169921875 10.98 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5810 173.128684997559 15047.4008789062 47.02 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5811 190.630355834961 3462.4130859375 10.82 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5812 219.13419342041 18938.3564453125 59.17 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5813 223.021774291992 3237.18212890625 10.11 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5814 237.121078491211 10533.7990722656 32.91 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5815 241.07926940918 10459.0668945312 32.68 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5816 272.117065429688 3352.75439453125 10.48 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5817 272.986541748047 3474.1796875 10.86 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5818 298.806793212891 3269.32861328125 10.21 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5819 319.409149169922 3631.1552734375 11.35 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5820 328.813140869141 3904.8525390625 12.2 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5821 338.132110595703 21197.6826171875 66.23 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5822 434.605041503906 3691.54809570312 11.53 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5823 437.200073242188 32005.328125 100 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5824 437.202575683594 31969.298828125 99.89 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5825 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5826 RECORD_TITLE: MZ:437.262 | RT:82.7 | grpid:705 | file:NA |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5827 MS$FOCUSED_ION: PRECURSOR_M/Z 437.26196926482 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5828 AC$CHROMATOGRAPHY: RETENTION_TIME 82.686066 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5829 XCMS groupid (grpid): 705 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5830 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5831 PK$NUM_PEAK: 21 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5832 PK$PEAK: m/z int. rel.int. |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5833 101.581962585449 3264.87109375 10.2 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5834 116.071166992188 3482.65063476562 10.88 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5835 132.101989746094 22861.818359375 71.43 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5836 140.506622314453 3661.59790039062 11.44 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5837 147.764419555664 3555.626953125 11.11 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5838 166.32194519043 3513.9169921875 10.98 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5839 173.128684997559 15047.4008789062 47.02 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5840 190.630355834961 3462.4130859375 10.82 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5841 219.13419342041 18938.3564453125 59.17 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5842 223.021774291992 3237.18212890625 10.11 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5843 237.121078491211 10533.7990722656 32.91 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5844 241.07926940918 10459.0668945312 32.68 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5845 272.117065429688 3352.75439453125 10.48 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5846 272.986541748047 3474.1796875 10.86 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5847 298.806793212891 3269.32861328125 10.21 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5848 319.409149169922 3631.1552734375 11.35 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5849 328.813140869141 3904.8525390625 12.2 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5850 338.132110595703 21197.6826171875 66.23 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5851 434.605041503906 3691.54809570312 11.53 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5852 437.200073242188 32005.328125 100 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5853 437.202575683594 31969.298828125 99.89 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5854 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5855 RECORD_TITLE: MZ:452.192 | RT:112.8 | grpid:739 | file:NA |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5856 MS$FOCUSED_ION: PRECURSOR_M/Z 452.191973065994 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5857 AC$CHROMATOGRAPHY: RETENTION_TIME 112.786446 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5858 XCMS groupid (grpid): 739 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5859 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5860 PK$NUM_PEAK: 9 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5861 PK$PEAK: m/z int. rel.int. |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5862 102.97029876709 3784.47021484375 8.69 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5863 104.049896240234 3122.90185546875 7.17 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5864 116.335182189941 3076.12817382812 7.07 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5865 116.576026916504 2942.82885742188 6.76 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5866 173.128524780273 11933.6540527344 27.41 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5867 183.460662841797 3233.1337890625 7.43 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5868 242.185913085938 4649.87841796875 10.68 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5869 431.172515869141 3883.38818359375 8.92 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5870 452.189651489258 43539.763671875 100 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5871 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5872 RECORD_TITLE: MZ:452.192 | RT:112.8 | grpid:739 | file:NA |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5873 MS$FOCUSED_ION: PRECURSOR_M/Z 452.191973065994 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5874 AC$CHROMATOGRAPHY: RETENTION_TIME 112.786446 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5875 XCMS groupid (grpid): 739 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5876 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5877 PK$NUM_PEAK: 9 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5878 PK$PEAK: m/z int. rel.int. |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5879 102.97029876709 3784.47021484375 8.69 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5880 104.049896240234 3122.90185546875 7.17 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5881 116.335182189941 3076.12817382812 7.07 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5882 116.576026916504 2942.82885742188 6.76 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5883 173.128524780273 11933.6540527344 27.41 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5884 183.460662841797 3233.1337890625 7.43 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5885 242.185913085938 4649.87841796875 10.68 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5886 431.172515869141 3883.38818359375 8.92 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5887 452.189651489258 43539.763671875 100 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5888 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5889 RECORD_TITLE: MZ:461.2071 | RT:76.5 | grpid:757 | file:NA |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5890 MS$FOCUSED_ION: PRECURSOR_M/Z 461.207113324101 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5891 AC$CHROMATOGRAPHY: RETENTION_TIME 76.520544 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5892 XCMS groupid (grpid): 757 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5893 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5894 PK$NUM_PEAK: 10 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5895 PK$PEAK: m/z int. rel.int. |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5896 108.938446044922 3487.57153320312 0.24 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5897 110.10814666748 3973.40063476562 0.28 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5898 112.037200927734 64088.408203125 4.45 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5899 143.304336547852 4037.703125 0.28 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5900 150.591278076172 5008.4482421875 0.35 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5901 153.052314758301 41625.958984375 2.89 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5902 194.078971862793 5477.90405273438 0.38 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5903 224.089454650879 63665.341796875 4.42 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5904 242.099769592285 1441747.6875 100 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5905 483.839416503906 4609.6552734375 0.32 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5906 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5907 RECORD_TITLE: MZ:461.2071 | RT:76.5 | grpid:757 | file:NA |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5908 MS$FOCUSED_ION: PRECURSOR_M/Z 461.207113324101 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5909 AC$CHROMATOGRAPHY: RETENTION_TIME 76.520544 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5910 XCMS groupid (grpid): 757 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5911 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5912 PK$NUM_PEAK: 10 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5913 PK$PEAK: m/z int. rel.int. |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5914 108.938446044922 3487.57153320312 0.24 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5915 110.10814666748 3973.40063476562 0.28 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5916 112.037200927734 64088.408203125 4.45 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5917 143.304336547852 4037.703125 0.28 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5918 150.591278076172 5008.4482421875 0.35 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5919 153.052314758301 41625.958984375 2.89 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5920 194.078971862793 5477.90405273438 0.38 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5921 224.089454650879 63665.341796875 4.42 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5922 242.099769592285 1441747.6875 100 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5923 483.839416503906 4609.6552734375 0.32 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5924 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5925 RECORD_TITLE: MZ:462.2212 | RT:57.7 | grpid:759 | file:NA |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5926 MS$FOCUSED_ION: PRECURSOR_M/Z 462.22122959389 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5927 AC$CHROMATOGRAPHY: RETENTION_TIME 57.7060356 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5928 XCMS groupid (grpid): 759 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5929 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5930 PK$NUM_PEAK: 33 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5931 PK$PEAK: m/z int. rel.int. |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5932 102.055290222168 25408.091796875 7.69 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5933 114.073616027832 4833.80419921875 1.46 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5934 115.087074279785 4629.81689453125 1.4 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5935 116.070701599121 7154.1357421875 2.16 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5936 118.086708068848 16256.9169921875 4.92 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5937 120.065902709961 45274.0078125 13.7 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5938 127.086898803711 6351.52294921875 1.92 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5939 129.102325439453 330451.9375 100 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5940 130.050109863281 20902.541015625 6.33 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5941 139.086563110352 4282.58251953125 1.3 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5942 141.065887451172 19794.552734375 5.99 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5943 143.081634521484 4180.470703125 1.27 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5944 145.060836791992 12183.693359375 3.69 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5945 155.082183837891 6239.6240234375 1.89 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5946 155.117782592773 16064.8671875 4.86 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5947 157.097106933594 126526.3125 38.29 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5948 159.076431274414 88771.7109375 26.86 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5949 169.824691772461 3394.9814453125 1.03 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5950 173.09196472168 47060.4453125 14.24 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5951 175.107482910156 14841.31640625 4.49 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5952 183.076766967773 6105.44970703125 1.85 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5953 183.113021850586 14382.08203125 4.35 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5954 187.071426391602 43003.76171875 13.01 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5955 187.107849121094 41273.53125 12.49 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5956 191.102890014648 6334.61572265625 1.92 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5957 215.102142333984 27825.716796875 8.42 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5958 252.097564697266 4154.2255859375 1.26 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5959 262.139984130859 4305.97509765625 1.3 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5960 270.107604980469 18771.7109375 5.68 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5961 272.124145507812 107939.2109375 32.66 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5962 274.102722167969 5811.99951171875 1.76 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5963 288.119079589844 46286.41015625 14.01 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5964 359.028900146484 14643.9267578125 4.43 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5965 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5966 RECORD_TITLE: MZ:462.2212 | RT:57.7 | grpid:759 | file:NA |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5967 MS$FOCUSED_ION: PRECURSOR_M/Z 462.22122959389 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5968 AC$CHROMATOGRAPHY: RETENTION_TIME 57.7060356 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5969 XCMS groupid (grpid): 759 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5970 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5971 PK$NUM_PEAK: 33 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5972 PK$PEAK: m/z int. rel.int. |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5973 102.055290222168 25408.091796875 7.69 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5974 114.073616027832 4833.80419921875 1.46 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5975 115.087074279785 4629.81689453125 1.4 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5976 116.070701599121 7154.1357421875 2.16 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5977 118.086708068848 16256.9169921875 4.92 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5978 120.065902709961 45274.0078125 13.7 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5979 127.086898803711 6351.52294921875 1.92 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5980 129.102325439453 330451.9375 100 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5981 130.050109863281 20902.541015625 6.33 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5982 139.086563110352 4282.58251953125 1.3 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5983 141.065887451172 19794.552734375 5.99 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5984 143.081634521484 4180.470703125 1.27 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5985 145.060836791992 12183.693359375 3.69 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5986 155.082183837891 6239.6240234375 1.89 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5987 155.117782592773 16064.8671875 4.86 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5988 157.097106933594 126526.3125 38.29 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5989 159.076431274414 88771.7109375 26.86 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5990 169.824691772461 3394.9814453125 1.03 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5991 173.09196472168 47060.4453125 14.24 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5992 175.107482910156 14841.31640625 4.49 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5993 183.076766967773 6105.44970703125 1.85 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5994 183.113021850586 14382.08203125 4.35 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5995 187.071426391602 43003.76171875 13.01 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5996 187.107849121094 41273.53125 12.49 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5997 191.102890014648 6334.61572265625 1.92 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5998 215.102142333984 27825.716796875 8.42 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
5999 252.097564697266 4154.2255859375 1.26 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6000 262.139984130859 4305.97509765625 1.3 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6001 270.107604980469 18771.7109375 5.68 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6002 272.124145507812 107939.2109375 32.66 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6003 274.102722167969 5811.99951171875 1.76 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6004 288.119079589844 46286.41015625 14.01 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6005 359.028900146484 14643.9267578125 4.43 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6006 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6007 RECORD_TITLE: MZ:476.1907 | RT:81.2 | grpid:787 | file:NA |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6008 MS$FOCUSED_ION: PRECURSOR_M/Z 476.190702761819 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6009 AC$CHROMATOGRAPHY: RETENTION_TIME 81.162672 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6010 XCMS groupid (grpid): 787 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6011 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6012 PK$NUM_PEAK: 35 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6013 PK$PEAK: m/z int. rel.int. |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6014 102.055366516113 21051.8110351562 10.42 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6015 102.06177520752 3275.78784179688 1.62 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6016 103.278198242188 3364.96044921875 1.67 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6017 103.568260192871 3338.787109375 1.65 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6018 109.02855682373 5442.65234375 2.69 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6019 112.885681152344 3330.005859375 1.65 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6020 116.070863723755 19604.572265625 9.7 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6021 117.074157714844 4382.4052734375 2.17 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6022 126.054988861084 42696.5297851562 21.13 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6023 127.058540344238 15406.0958251953 7.63 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6024 130.050010681152 17191.7501220703 8.51 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6025 131.052932739258 3582.9775390625 1.77 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6026 138.054950714111 202033.9140625 100 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6027 139.058448791504 100415.36328125 49.7 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6028 144.065536499023 52288.6015625 25.88 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6029 145.068897247314 22610.4614257812 11.19 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6030 148.060371398926 65520.4560546875 32.43 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6031 149.063915252686 19582.2504882812 9.69 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6032 164.992126464844 3413.22827148438 1.69 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6033 168.065673828125 34472.0927734375 17.06 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6034 169.069103240967 22984.6337890625 11.38 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6035 186.076126098633 28176.646484375 13.95 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6036 187.079540252686 18965.4482421875 9.39 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6037 199.405822753906 3979.18115234375 1.97 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6038 218.489898681641 3360.4560546875 1.66 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6039 241.122634887695 3873.60595703125 1.92 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6040 259.666381835938 4058.85961914062 2.01 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6041 267.132629394531 3835.806640625 1.9 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6042 276.075790405273 5173.6982421875 2.56 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6043 292.791442871094 3937.0400390625 1.95 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6044 301.13948059082 13626.3889160156 6.74 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6045 302.142250061035 25419.3266601562 12.58 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6046 360.640808105469 4196.35400390625 2.08 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6047 396.660095214844 3955.03051757812 1.96 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6048 480.125091552734 3905.12133789062 1.93 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6049 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6050 RECORD_TITLE: MZ:476.1907 | RT:81.2 | grpid:787 | file:NA |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6051 MS$FOCUSED_ION: PRECURSOR_M/Z 476.190702761819 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6052 AC$CHROMATOGRAPHY: RETENTION_TIME 81.162672 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6053 XCMS groupid (grpid): 787 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6054 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6055 PK$NUM_PEAK: 35 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6056 PK$PEAK: m/z int. rel.int. |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6057 102.055366516113 21051.8110351562 10.42 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6058 102.06177520752 3275.78784179688 1.62 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6059 103.278198242188 3364.96044921875 1.67 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6060 103.568260192871 3338.787109375 1.65 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6061 109.02855682373 5442.65234375 2.69 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6062 112.885681152344 3330.005859375 1.65 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6063 116.070863723755 19604.572265625 9.7 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6064 117.074157714844 4382.4052734375 2.17 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6065 126.054988861084 42696.5297851562 21.13 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6066 127.058540344238 15406.0958251953 7.63 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6067 130.050010681152 17191.7501220703 8.51 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6068 131.052932739258 3582.9775390625 1.77 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6069 138.054950714111 202033.9140625 100 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6070 139.058448791504 100415.36328125 49.7 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6071 144.065536499023 52288.6015625 25.88 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6072 145.068897247314 22610.4614257812 11.19 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6073 148.060371398926 65520.4560546875 32.43 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6074 149.063915252686 19582.2504882812 9.69 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6075 164.992126464844 3413.22827148438 1.69 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6076 168.065673828125 34472.0927734375 17.06 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6077 169.069103240967 22984.6337890625 11.38 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6078 186.076126098633 28176.646484375 13.95 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6079 187.079540252686 18965.4482421875 9.39 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6080 199.405822753906 3979.18115234375 1.97 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6081 218.489898681641 3360.4560546875 1.66 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6082 241.122634887695 3873.60595703125 1.92 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6083 259.666381835938 4058.85961914062 2.01 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6084 267.132629394531 3835.806640625 1.9 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6085 276.075790405273 5173.6982421875 2.56 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6086 292.791442871094 3937.0400390625 1.95 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6087 301.13948059082 13626.3889160156 6.74 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6088 302.142250061035 25419.3266601562 12.58 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6089 360.640808105469 4196.35400390625 2.08 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6090 396.660095214844 3955.03051757812 1.96 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6091 480.125091552734 3905.12133789062 1.93 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6092 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6093 RECORD_TITLE: MZ:487.1812 | RT:66.7 | grpid:812 | file:NA |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6094 MS$FOCUSED_ION: PRECURSOR_M/Z 487.181176540989 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6095 AC$CHROMATOGRAPHY: RETENTION_TIME 66.710418 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6096 XCMS groupid (grpid): 812 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6097 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6098 PK$NUM_PEAK: 7 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6099 PK$PEAK: m/z int. rel.int. |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6100 103.690208435059 5716.66162109375 0.05 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6101 112.050846099854 11784687 100 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6102 174.621200561523 5244.80419921875 0.04 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6103 200.266555786133 5990.37744140625 0.05 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6104 244.092681884766 114135.3828125 0.97 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6105 294.906677246094 6473.75732421875 0.05 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6106 448.8837890625 6051.86181640625 0.05 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6107 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6108 RECORD_TITLE: MZ:487.1812 | RT:66.7 | grpid:812 | file:NA |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6109 MS$FOCUSED_ION: PRECURSOR_M/Z 487.181176540989 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6110 AC$CHROMATOGRAPHY: RETENTION_TIME 66.710418 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6111 XCMS groupid (grpid): 812 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6112 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6113 PK$NUM_PEAK: 7 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6114 PK$PEAK: m/z int. rel.int. |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6115 103.690208435059 5716.66162109375 0.05 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6116 112.050846099854 11784687 100 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6117 174.621200561523 5244.80419921875 0.04 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6118 200.266555786133 5990.37744140625 0.05 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6119 244.092681884766 114135.3828125 0.97 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6120 294.906677246094 6473.75732421875 0.05 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6121 448.8837890625 6051.86181640625 0.05 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6122 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6123 RECORD_TITLE: MZ:494.1968 | RT:49.9 | grpid:830 | file:NA |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6124 MS$FOCUSED_ION: PRECURSOR_M/Z 494.196757645669 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6125 AC$CHROMATOGRAPHY: RETENTION_TIME 49.9356528 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6126 XCMS groupid (grpid): 830 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6127 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6128 PK$NUM_PEAK: 43 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6129 PK$PEAK: m/z int. rel.int. |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6130 101.02392578125 4665.49853515625 0.46 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6131 102.055374145508 147275.96875 14.46 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6132 102.392883300781 3496.21337890625 0.34 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6133 108.04434967041 4591.63720703125 0.45 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6134 108.044906616211 7338.142578125 0.72 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6135 109.028678894043 35977.96484375 3.53 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6136 110.060516357422 4515.4990234375 0.44 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6137 112.050483703613 5202.08544921875 0.51 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6138 114.055294036865 8047.6591796875 0.79 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6139 116.070938110352 148026.921875 14.53 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6140 126.055130004883 383223.53125 37.62 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6141 127.039051055908 19638.7255859375 1.93 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6142 130.049903869629 124625.0859375 12.23 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6143 131.064346313477 4367.2939453125 0.43 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6144 133.538024902344 3557.1923828125 0.35 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6145 134.355972290039 4310.93603515625 0.42 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6146 136.169921875 4170.79638671875 0.41 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6147 138.054985046387 1018626.90625 100 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6148 140.379119873047 4150.32763671875 0.41 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6149 144.054061889648 6955.7412109375 0.68 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6150 144.065574645996 275421.6875 27.04 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6151 148.060394287109 523997.53125 51.44 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6152 150.054046630859 3918.6318359375 0.38 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6153 168.051147460938 6748.05224609375 0.66 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6154 168.065574645996 174448.5546875 17.13 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6155 186.076110839844 123347.046875 12.11 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6156 197.289779663086 4408.47607421875 0.43 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6157 219.097625732422 8514.79125976562 0.84 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6158 230.102722167969 7866.95288085938 0.77 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6159 239.558517456055 4159.935546875 0.41 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6160 258.096481323242 12516.89453125 1.23 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6161 285.323272705078 4496.87939453125 0.44 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6162 291.116821289062 6737.97021484375 0.66 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6163 291.118927001953 8675.626953125 0.85 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6164 301.107269287109 5462.4970703125 0.54 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6165 301.139266967773 89015.59375 8.74 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6166 302.220367431641 3734.84155273438 0.37 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6167 319.864624023438 4290.947265625 0.42 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6168 329.133895874023 12967.8857421875 1.27 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6169 332.25048828125 4750.3056640625 0.47 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6170 342.581665039062 3982.03881835938 0.39 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6171 376.824645996094 3809.353515625 0.37 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6172 426.685913085938 4104.65283203125 0.4 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6173 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6174 RECORD_TITLE: MZ:494.1968 | RT:49.9 | grpid:830 | file:NA |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6175 MS$FOCUSED_ION: PRECURSOR_M/Z 494.196757645669 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6176 AC$CHROMATOGRAPHY: RETENTION_TIME 49.9356528 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6177 XCMS groupid (grpid): 830 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6178 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6179 PK$NUM_PEAK: 43 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6180 PK$PEAK: m/z int. rel.int. |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6181 101.02392578125 4665.49853515625 0.46 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6182 102.055374145508 147275.96875 14.46 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6183 102.392883300781 3496.21337890625 0.34 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6184 108.04434967041 4591.63720703125 0.45 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6185 108.044906616211 7338.142578125 0.72 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6186 109.028678894043 35977.96484375 3.53 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6187 110.060516357422 4515.4990234375 0.44 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6188 112.050483703613 5202.08544921875 0.51 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6189 114.055294036865 8047.6591796875 0.79 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6190 116.070938110352 148026.921875 14.53 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6191 126.055130004883 383223.53125 37.62 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6192 127.039051055908 19638.7255859375 1.93 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6193 130.049903869629 124625.0859375 12.23 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6194 131.064346313477 4367.2939453125 0.43 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6195 133.538024902344 3557.1923828125 0.35 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6196 134.355972290039 4310.93603515625 0.42 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6197 136.169921875 4170.79638671875 0.41 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6198 138.054985046387 1018626.90625 100 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6199 140.379119873047 4150.32763671875 0.41 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6200 144.054061889648 6955.7412109375 0.68 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6201 144.065574645996 275421.6875 27.04 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6202 148.060394287109 523997.53125 51.44 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6203 150.054046630859 3918.6318359375 0.38 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6204 168.051147460938 6748.05224609375 0.66 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6205 168.065574645996 174448.5546875 17.13 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6206 186.076110839844 123347.046875 12.11 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6207 197.289779663086 4408.47607421875 0.43 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6208 219.097625732422 8514.79125976562 0.84 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6209 230.102722167969 7866.95288085938 0.77 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6210 239.558517456055 4159.935546875 0.41 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6211 258.096481323242 12516.89453125 1.23 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6212 285.323272705078 4496.87939453125 0.44 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6213 291.116821289062 6737.97021484375 0.66 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6214 291.118927001953 8675.626953125 0.85 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6215 301.107269287109 5462.4970703125 0.54 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6216 301.139266967773 89015.59375 8.74 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6217 302.220367431641 3734.84155273438 0.37 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6218 319.864624023438 4290.947265625 0.42 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6219 329.133895874023 12967.8857421875 1.27 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6220 332.25048828125 4750.3056640625 0.47 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6221 342.581665039062 3982.03881835938 0.39 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6222 376.824645996094 3809.353515625 0.37 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6223 426.685913085938 4104.65283203125 0.4 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6224 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6225 RECORD_TITLE: MZ:498.1693 | RT:81.2 | grpid:840 | file:NA |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6226 MS$FOCUSED_ION: PRECURSOR_M/Z 498.169308539313 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6227 AC$CHROMATOGRAPHY: RETENTION_TIME 81.162672 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6228 XCMS groupid (grpid): 840 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6229 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6230 PK$NUM_PEAK: 45 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6231 PK$PEAK: m/z int. rel.int. |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6232 101.778099060059 3795.03295898438 0.42 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6233 106.049766540527 6611.89404296875 0.74 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6234 109.610725402832 3484.1552734375 0.39 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6235 110.071098327637 19380.7294921875 2.16 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6236 113.020816802979 9337.1875 1.04 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6237 126.054611206055 5812.5556640625 0.65 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6238 127.031745910645 4190.18701171875 0.47 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6239 136.075546264648 26832.8837890625 2.99 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6240 137.078796386719 9176.759765625 1.02 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6241 138.054496765137 22557.607421875 2.51 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6242 148.036193847656 6227.35693359375 0.69 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6243 159.81298828125 3442.19995117188 0.38 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6244 167.347625732422 4180.2548828125 0.47 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6245 170.04133605957 5330.70458984375 0.59 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6246 180.837631225586 3948.50952148438 0.44 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6247 184.057907104492 8015.86474609375 0.89 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6248 186.075622558594 4476.88330078125 0.5 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6249 188.469665527344 3955.94091796875 0.44 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6250 195.686859130859 3936.31909179688 0.44 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6251 200.988327026367 3759.4541015625 0.42 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6252 208.058097839355 58436.056640625 6.5 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6253 210.997604370117 4414.2978515625 0.49 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6254 214.955703735352 4026.87036132812 0.45 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6255 226.046966552734 7511.52294921875 0.84 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6256 226.068435668945 146951.8125 16.35 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6257 236.147369384766 6149.79077148438 0.68 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6258 241.538787841797 4289.0048828125 0.48 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6259 244.78190612793 4454.5654296875 0.5 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6260 276.721008300781 3612.77392578125 0.4 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6261 279.0947265625 24795.88671875 2.76 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6262 296.157531738281 4649.9521484375 0.52 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6263 297.103424072266 4021.5634765625 0.45 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6264 298.089447021484 615103.03125 68.43 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6265 308.5830078125 4018.92358398438 0.45 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6266 311.841857910156 3540.38208007812 0.39 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6267 313.098754882812 4193.3427734375 0.47 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6268 323.121139526367 466568.765625 51.91 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6269 351.116027832031 196796 21.89 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6270 368.141418457031 7687.5947265625 0.86 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6271 368.143646240234 8117.44580078125 0.9 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6272 369.124267578125 5257.81591796875 0.58 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6273 369.126586914062 886075.9375 98.58 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6274 452.164505004883 53825.01953125 5.99 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6275 480.157821655273 18973.7768554688 2.11 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6276 498.169242858887 898832.592529297 100 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6277 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6278 RECORD_TITLE: MZ:498.1693 | RT:81.2 | grpid:840 | file:NA |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6279 MS$FOCUSED_ION: PRECURSOR_M/Z 498.169308539313 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6280 AC$CHROMATOGRAPHY: RETENTION_TIME 81.162672 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6281 XCMS groupid (grpid): 840 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6282 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6283 PK$NUM_PEAK: 45 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6284 PK$PEAK: m/z int. rel.int. |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6285 101.778099060059 3795.03295898438 0.42 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6286 106.049766540527 6611.89404296875 0.74 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6287 109.610725402832 3484.1552734375 0.39 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6288 110.071098327637 19380.7294921875 2.16 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6289 113.020816802979 9337.1875 1.04 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6290 126.054611206055 5812.5556640625 0.65 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6291 127.031745910645 4190.18701171875 0.47 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6292 136.075546264648 26832.8837890625 2.99 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6293 137.078796386719 9176.759765625 1.02 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6294 138.054496765137 22557.607421875 2.51 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6295 148.036193847656 6227.35693359375 0.69 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6296 159.81298828125 3442.19995117188 0.38 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6297 167.347625732422 4180.2548828125 0.47 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6298 170.04133605957 5330.70458984375 0.59 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6299 180.837631225586 3948.50952148438 0.44 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6300 184.057907104492 8015.86474609375 0.89 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6301 186.075622558594 4476.88330078125 0.5 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6302 188.469665527344 3955.94091796875 0.44 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6303 195.686859130859 3936.31909179688 0.44 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6304 200.988327026367 3759.4541015625 0.42 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6305 208.058097839355 58436.056640625 6.5 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6306 210.997604370117 4414.2978515625 0.49 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6307 214.955703735352 4026.87036132812 0.45 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6308 226.046966552734 7511.52294921875 0.84 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6309 226.068435668945 146951.8125 16.35 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6310 236.147369384766 6149.79077148438 0.68 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6311 241.538787841797 4289.0048828125 0.48 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6312 244.78190612793 4454.5654296875 0.5 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6313 276.721008300781 3612.77392578125 0.4 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6314 279.0947265625 24795.88671875 2.76 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6315 296.157531738281 4649.9521484375 0.52 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6316 297.103424072266 4021.5634765625 0.45 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6317 298.089447021484 615103.03125 68.43 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6318 308.5830078125 4018.92358398438 0.45 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6319 311.841857910156 3540.38208007812 0.39 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6320 313.098754882812 4193.3427734375 0.47 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6321 323.121139526367 466568.765625 51.91 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6322 351.116027832031 196796 21.89 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6323 368.141418457031 7687.5947265625 0.86 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6324 368.143646240234 8117.44580078125 0.9 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6325 369.124267578125 5257.81591796875 0.58 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6326 369.126586914062 886075.9375 98.58 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6327 452.164505004883 53825.01953125 5.99 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6328 480.157821655273 18973.7768554688 2.11 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6329 498.169242858887 898832.592529297 100 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6330 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6331 RECORD_TITLE: MZ:499.2505 | RT:129.3 | grpid:843 | file:NA |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6332 MS$FOCUSED_ION: PRECURSOR_M/Z 499.250501059464 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6333 AC$CHROMATOGRAPHY: RETENTION_TIME 129.271086 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6334 XCMS groupid (grpid): 843 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6335 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6336 PK$NUM_PEAK: 9 |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
|
6337 PK$PEAK: m/z int. rel.int. |
|
ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
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6338 110.034912109375 5403.05908203125 0.28 |
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ca0ac330f1a4
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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6339 118.086486816406 5748.27075195312 0.3 |
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ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
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6340 119.035583496094 4770.26611328125 0.25 |
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ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
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6341 137.045799255371 1940576.6875 100 |
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ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
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changeset
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6342 143.80290222168 3752.88916015625 0.19 |
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ca0ac330f1a4
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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6343 185.164245605469 6015.66552734375 0.31 |
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ca0ac330f1a4
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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6344 188.177719116211 3627.47534179688 0.19 |
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ca0ac330f1a4
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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6345 231.170310974121 77430.171875 3.99 |
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ca0ac330f1a4
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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6346 473.909973144531 4030.2705078125 0.21 |
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ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
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6347 |
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ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
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changeset
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6348 RECORD_TITLE: MZ:499.2505 | RT:129.3 | grpid:843 | file:NA |
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ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
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6349 MS$FOCUSED_ION: PRECURSOR_M/Z 499.250501059464 |
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ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
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6350 AC$CHROMATOGRAPHY: RETENTION_TIME 129.271086 |
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ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
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changeset
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6351 XCMS groupid (grpid): 843 |
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ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
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6352 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.11.0 |
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ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
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6353 PK$NUM_PEAK: 9 |
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ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
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changeset
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6354 PK$PEAK: m/z int. rel.int. |
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ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
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6355 110.034912109375 5403.05908203125 0.28 |
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ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
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changeset
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6356 118.086486816406 5748.27075195312 0.3 |
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ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
parents:
diff
changeset
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6357 119.035583496094 4770.26611328125 0.25 |
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ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
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changeset
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6358 137.045799255371 1940576.6875 100 |
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ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
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changeset
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6359 143.80290222168 3752.88916015625 0.19 |
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ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
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6360 185.164245605469 6015.66552734375 0.31 |
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ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
tomnl
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diff
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6361 188.177719116211 3627.47534179688 0.19 |
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ca0ac330f1a4
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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6362 231.170310974121 77430.171875 3.99 |
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ca0ac330f1a4
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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6363 473.909973144531 4030.2705078125 0.21 |
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ca0ac330f1a4
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
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6364 |