Mercurial > repos > computational-metabolomics > metfrag
view 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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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