Mercurial > repos > recetox > matchms_formatter

comparison test-data/remove_spectra/require_retention_time.msp @ 28:8bd942dcf1ad draft

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planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 113433b8b9790405c2c5d054aee4a29a21b77dc7
author recetox
date Thu, 30 May 2024 18:09:44 +0000
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27:402620029a7a 28:8bd942dcf1ad
1 IONMODE: negative
2 SPECTRUMTYPE: Centroid
3 COMPOUND_NAME: C001
4 RETENTION_TIME: 38.74
5 RETENTION_INDEX: None
6 NUM PEAKS: 16
7 138.9121 10186226.0
8 175.0641 26780143.0
9 196.8658 21390430.0
10 198.8647 21688594.0
11 206.9034 26130980.0
12 254.8252 23747536.0
13 258.8237 15532799.0
14 266.8652 9805546.0
15 312.7841 10051801.0
16 316.7777 10734168.0
17 372.7383 19374863.0
18 382.8218 12815572.0
19 392.7685 10913351.0
20 434.7287 9943329.0
21 440.7322 10603010.0
22 488.6825 12267966.0
23