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view test-data/invalid_adduct.msp @ 4:eb581a101672 draft

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planemo upload for repository https://github.com/computational-metabolomics/metfrag-galaxy commit 28da8cdf5f9cc45575b614a329da5790803e59c4
author tomnl
date Thu, 01 Aug 2019 09:02:47 -0400
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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