Mercurial > repos > computational-metabolomics > metfrag
comparison test-data/invalid_adduct.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: MZ:70.0659 | RT:1483 | XCMS_group:1 | file:1 | scan:NA | pid:NA | |
2 PRECURSORMZ: 70.0658950805664 | |
3 ADDUCT: [M+INVALID_ADDUCT]+ | |
4 Comment: | |
5 Num Peaks: 8 | |
6 50.4781379699707 3487.4296875 4.61 | |
7 51.0193099975586 3390.96948242188 4.49 | |
8 53.0031509399414 10011.958984375 13.25 | |
9 53.5898513793945 4252.7880859375 5.63 | |
10 54.3787727355957 3541.5107421875 4.69 | |
11 69.0455169677734 9650.0107421875 12.77 | |
12 70.0660934448242 37168.609375 49.18 | |
13 82.9910659790039 4077.36694335938 5.39 |