Mercurial > repos > computational-metabolomics > metfrag
comparison test-data/winter_pos.msp @ 0:fd5c0b39569a draft
"planemo upload for repository https://github.com/computational-metabolomics/metfrag-galaxy commit e20ce56f23d9fe30df64542ece2295d654ca142d"
author | computational-metabolomics |
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date | Wed, 05 Feb 2020 12:30:06 -0500 |
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-1:000000000000 | 0:fd5c0b39569a |
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1 NAME: pos_27_winter_Marpol_27_2.E.3_01_17272:1 | |
2 AlignmentID: 1 | |
3 RETENTIONTIME: 720.852 | |
4 PRECURSORMZ: 149.13513692 | |
5 METABOLITENAME: Unknown | |
6 ADDUCTIONNAME: [M+H]+ | |
7 NumPeaks: 3 | |
8 121.099329887276 182 | |
9 149.133267159026 510 | |
10 150.14016979533 114 | |
11 | |
12 NAME: pos_27_winter_Marpol_27_2.E.3_01_17272:2 | |
13 AlignmentID: 2 | |
14 RETENTIONTIME: 650.574 | |
15 PRECURSORMZ: 151.11569214 | |
16 METABOLITENAME: Unknown | |
17 ADDUCTIONNAME: [M+H]+ | |
18 NumPeaks: 3 | |
19 136.090178471023 168 | |
20 151.110697295085 1052 | |
21 152.117423567352 136 | |
22 | |
23 NAME: pos_27_winter_Marpol_27_2.E.3_01_17272:3 | |
24 AlignmentID: 3 | |
25 RETENTIONTIME: 42.174 | |
26 PRECURSORMZ: 166.09213257 | |
27 METABOLITENAME: Unknown | |
28 ADDUCTIONNAME: [M+H]+ | |
29 NumPeaks: 5 | |
30 121.067062911877 262 | |
31 131.049505932606 146 | |
32 137.060202192821 531 | |
33 149.059561491169 254 | |
34 166.08537028381 545 |