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comparison test-data/winter_pos.msp @ 1:c1b168770b68 draft

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planemo upload for repository https://github.com/computational-metabolomics/metfrag-galaxy commit 5b384bd55e5bb4b0dc1daebd2ef5d3ee0e379b2e-dirty
author tomnl
date Fri, 31 May 2019 04:41:09 -0400
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0:75c805123b45 1:c1b168770b68
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