Mercurial > repos > computational-metabolomics > cfmid
comparison test-data/input.msp @ 0:41c4de0ed4ec draft default tip
planemo upload for repository https://github.com/computational-metabolomics/cfm-galaxy/tree/master/tools/cfm commit f0157bb3b01871411f27c1d5bd4ccee2039335d0
| author | computational-metabolomics |
|---|---|
| date | Wed, 15 Nov 2023 16:28:04 +0000 |
| parents | |
| children |
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| -1:000000000000 | 0:41c4de0ed4ec |
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| 1 NAME: 1 | |
| 2 PRECURSORMZ: 70.0658950805664 | |
| 3 Comment: | |
| 4 Num Peaks: 8 | |
| 5 50.4781379699707 3487.4296875 | |
| 6 51.0193099975586 3390.96948242188 | |
| 7 53.0031509399414 10011.958984375 | |
| 8 53.5898513793945 4252.7880859375 | |
| 9 54.3787727355957 3541.5107421875 | |
| 10 69.0455169677734 9650.0107421875 | |
| 11 70.0660934448242 37168.609375 | |
| 12 82.9910659790039 4077.36694335938 | |
| 13 | |
| 14 NAME: 2 | |
| 15 PRECURSORMZ: 72.0815277099609 | |
| 16 Comment: | |
| 17 Num Peaks: 6 | |
| 18 51.773567199707 818.313903808594 | |
| 19 54.0346794128418 1247.91137695312 | |
| 20 54.6847991943359 967.616882324219 | |
| 21 56.050350189209 1780.01037597656 | |
| 22 58.4994125366211 975.196228027344 | |
| 23 72.0814056396484 1660.50390625 | |
| 24 | |
| 25 NAME: 5 | |
| 26 PRECURSORMZ: 76.0400390625 | |
| 27 Comment: | |
| 28 Num Peaks: 4 | |
| 29 53.2376174926758 3224.35571289062 | |
| 30 60.3291244506836 3193.19482421875 | |
| 31 73.7529830932617 3305.61401367188 | |
| 32 82.5309600830078 2965.41772460938 | |
| 33 | |
| 34 NAME: 9 | |
| 35 PRECURSORMZ: 79.0218811035156 | |
| 36 Comment: | |
| 37 Num Peaks: 5 | |
| 38 59.1125831604004 67799.1953125 | |
| 39 59.9673652648926 345613.1875 | |
| 40 62.9906845092773 117693.296875 | |
| 41 63.9986686706543 1585970.25 | |
| 42 80.5974655151367 66719.4609375 | |
| 43 | |
| 44 NAME: 11 | |
| 45 PRECURSORMZ: 79.9903564453125 | |
| 46 Comment: | |
| 47 Num Peaks: 3 | |
| 48 51.6917915344238 584.212829589844 | |
| 49 53.0398750305176 649.807922363281 | |
| 50 97.3154754638672 596.341003417969 | |
| 51 | |
| 52 NAME: 19 | |
| 53 PRECURSORMZ: 86.0606536865234 | |
| 54 Comment: | |
| 55 Num Peaks: 5 | |
| 56 53.0031509399414 29580.330078125 | |
| 57 55.3490409851074 4989.64990234375 | |
| 58 61.990592956543 4089.9619140625 | |
| 59 63.2290992736816 4168.97412109375 | |
| 60 67.6647109985352 5392.48779296875 | |
| 61 |