Mercurial > repos > computational-metabolomics > sirius_csifingerid

view test-data/invalid_adduct.msp @ 7:e29e64ff50bb draft

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"planemo upload for repository https://github.com/computational-metabolomics/sirius_csifingerid_galaxy commit a2dd58962ce65259d79c7647efef1f0b18dce48c"
author computational-metabolomics
date Thu, 10 Feb 2022 16:05:47 +0000
parents 9e6bf7278257
children
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NAME:  MZ:70.0659 | RT:1483 | XCMS_group:1 | file:1 | scan:NA | pid:NA
PRECURSORMZ: 70.0658950805664
ADDUCT: [M+INVALID_ADDUCT]+
Comment:
Num Peaks: 8
50.4781379699707	3487.4296875	4.61
51.0193099975586	3390.96948242188	4.49
53.0031509399414	10011.958984375	13.25
53.5898513793945	4252.7880859375	5.63
54.3787727355957	3541.5107421875	4.69
69.0455169677734	9650.0107421875	12.77
70.0660934448242	37168.609375	49.18
82.9910659790039	4077.36694335938	5.39