Mercurial > repos > computational-metabolomics > sirius_csifingerid

annotate 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
Ignore whitespace changes - Everywhere: Within whitespace: At end of lines:
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0
9e6bf7278257 "planemo upload for repository https://github.com/computational-metabolomics/sirius_csifingerid_galaxy commit 1d1b37a070f895c94069819237199c768da27258"
computational-metabolomics
parents:
diff changeset
1 NAME: MZ:70.0659 | RT:1483 | XCMS_group:1 | file:1 | scan:NA | pid:NA
9e6bf7278257 "planemo upload for repository https://github.com/computational-metabolomics/sirius_csifingerid_galaxy commit 1d1b37a070f895c94069819237199c768da27258"
computational-metabolomics
parents:
diff changeset
2 PRECURSORMZ: 70.0658950805664
9e6bf7278257 "planemo upload for repository https://github.com/computational-metabolomics/sirius_csifingerid_galaxy commit 1d1b37a070f895c94069819237199c768da27258"
computational-metabolomics
parents:
diff changeset
3 ADDUCT: [M+INVALID_ADDUCT]+
9e6bf7278257 "planemo upload for repository https://github.com/computational-metabolomics/sirius_csifingerid_galaxy commit 1d1b37a070f895c94069819237199c768da27258"
computational-metabolomics
parents:
diff changeset
4 Comment:
9e6bf7278257 "planemo upload for repository https://github.com/computational-metabolomics/sirius_csifingerid_galaxy commit 1d1b37a070f895c94069819237199c768da27258"
computational-metabolomics
parents:
diff changeset
5 Num Peaks: 8
9e6bf7278257 "planemo upload for repository https://github.com/computational-metabolomics/sirius_csifingerid_galaxy commit 1d1b37a070f895c94069819237199c768da27258"
computational-metabolomics
parents:
diff changeset
6 50.4781379699707 3487.4296875 4.61
9e6bf7278257 "planemo upload for repository https://github.com/computational-metabolomics/sirius_csifingerid_galaxy commit 1d1b37a070f895c94069819237199c768da27258"
computational-metabolomics
parents:
diff changeset
7 51.0193099975586 3390.96948242188 4.49
9e6bf7278257 "planemo upload for repository https://github.com/computational-metabolomics/sirius_csifingerid_galaxy commit 1d1b37a070f895c94069819237199c768da27258"
computational-metabolomics
parents:
diff changeset
8 53.0031509399414 10011.958984375 13.25
9e6bf7278257 "planemo upload for repository https://github.com/computational-metabolomics/sirius_csifingerid_galaxy commit 1d1b37a070f895c94069819237199c768da27258"
computational-metabolomics
parents:
diff changeset
9 53.5898513793945 4252.7880859375 5.63
9e6bf7278257 "planemo upload for repository https://github.com/computational-metabolomics/sirius_csifingerid_galaxy commit 1d1b37a070f895c94069819237199c768da27258"
computational-metabolomics
parents:
diff changeset
10 54.3787727355957 3541.5107421875 4.69
9e6bf7278257 "planemo upload for repository https://github.com/computational-metabolomics/sirius_csifingerid_galaxy commit 1d1b37a070f895c94069819237199c768da27258"
computational-metabolomics
parents:
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11 69.0455169677734 9650.0107421875 12.77
9e6bf7278257 "planemo upload for repository https://github.com/computational-metabolomics/sirius_csifingerid_galaxy commit 1d1b37a070f895c94069819237199c768da27258"
computational-metabolomics
parents:
diff changeset
12 70.0660934448242 37168.609375 49.18
9e6bf7278257 "planemo upload for repository https://github.com/computational-metabolomics/sirius_csifingerid_galaxy commit 1d1b37a070f895c94069819237199c768da27258"
computational-metabolomics
parents:
diff changeset
13 82.9910659790039 4077.36694335938 5.39