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view test-data/winter_pos.msp @ 0:fd5c0b39569a draft

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"planemo upload for repository https://github.com/computational-metabolomics/metfrag-galaxy commit e20ce56f23d9fe30df64542ece2295d654ca142d"
author computational-metabolomics
date Wed, 05 Feb 2020 12:30:06 -0500
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NAME: pos_27_winter_Marpol_27_2.E.3_01_17272:1
AlignmentID: 1
RETENTIONTIME: 720.852
PRECURSORMZ: 149.13513692
METABOLITENAME: Unknown
ADDUCTIONNAME: [M+H]+
NumPeaks: 3
121.099329887276	182
149.133267159026	510
150.14016979533	114

NAME: pos_27_winter_Marpol_27_2.E.3_01_17272:2
AlignmentID: 2
RETENTIONTIME: 650.574
PRECURSORMZ: 151.11569214
METABOLITENAME: Unknown
ADDUCTIONNAME: [M+H]+
NumPeaks: 3
136.090178471023	168
151.110697295085	1052
152.117423567352	136

NAME: pos_27_winter_Marpol_27_2.E.3_01_17272:3
AlignmentID: 3
RETENTIONTIME: 42.174
PRECURSORMZ: 166.09213257
METABOLITENAME: Unknown
ADDUCTIONNAME: [M+H]+
NumPeaks: 5
121.067062911877	262
131.049505932606	146
137.060202192821	531
149.059561491169	254
166.08537028381	545