Mercurial > repos > computational-metabolomics > sirius_csifingerid
view test-data/historic_input.msp @ 0:9e6bf7278257 draft
"planemo upload for repository https://github.com/computational-metabolomics/sirius_csifingerid_galaxy commit 1d1b37a070f895c94069819237199c768da27258"
author | computational-metabolomics |
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date | Wed, 05 Feb 2020 10:41:48 -0500 |
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NAME: 1 PRECURSORMZ: 70.0658950805664 Comment: Num Peaks: 8 50.4781379699707 3487.4296875 51.0193099975586 3390.96948242188 53.0031509399414 10011.958984375 53.5898513793945 4252.7880859375 54.3787727355957 3541.5107421875 69.0455169677734 9650.0107421875 70.0660934448242 37168.609375 82.9910659790039 4077.36694335938 NAME: 2 PRECURSORMZ: 72.0815277099609 Comment: Num Peaks: 6 51.773567199707 818.313903808594 54.0346794128418 1247.91137695312 54.6847991943359 967.616882324219 56.050350189209 1780.01037597656 58.4994125366211 975.196228027344 72.0814056396484 1660.50390625 NAME: 5 PRECURSORMZ: 76.0400390625 Comment: Num Peaks: 4 53.2376174926758 3224.35571289062 60.3291244506836 3193.19482421875 73.7529830932617 3305.61401367188 82.5309600830078 2965.41772460938 NAME: 9 PRECURSORMZ: 79.0218811035156 Comment: Num Peaks: 5 59.1125831604004 67799.1953125 59.9673652648926 345613.1875 62.9906845092773 117693.296875 63.9986686706543 1585970.25 80.5974655151367 66719.4609375 NAME: 11 PRECURSORMZ: 79.9903564453125 Comment: Num Peaks: 3 51.6917915344238 584.212829589844 53.0398750305176 649.807922363281 97.3154754638672 596.341003417969 NAME: 19 PRECURSORMZ: 86.0606536865234 Comment: Num Peaks: 5 53.0031509399414 29580.330078125 55.3490409851074 4989.64990234375 61.990592956543 4089.9619140625 63.2290992736816 4168.97412109375 67.6647109985352 5392.48779296875