Mercurial > repos > computational-metabolomics > sirius_csifingerid
comparison test-data/invalid_adduct.msp @ 0:9e6bf7278257 draft
"planemo upload for repository https://github.com/computational-metabolomics/sirius_csifingerid_galaxy commit 1d1b37a070f895c94069819237199c768da27258"
| author | computational-metabolomics |
|---|---|
| date | Wed, 05 Feb 2020 10:41:48 -0500 |
| parents | |
| children |
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| -1:000000000000 | 0:9e6bf7278257 |
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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 |