view test-data/remove_spectra/require_retention_time.msp @ 25:131baa30af82 draft default tip

planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit bd80a813fb2f01f22eed0c874f8911ce4d00762a
author recetox
date Mon, 30 Jun 2025 13:01:47 +0000
parents 9c12114c7aee
children
line wrap: on
line source

COMPOUND_NAME: C001
IONMODE: negative
SPECTRUMTYPE: Centroid
RETENTION_TIME: 38.74
RETENTION_INDEX: None
NUM PEAKS: 16
138.9121	10186226.0
175.0641	26780143.0
196.8658	21390430.0
198.8647	21688594.0
206.9034	26130980.0
254.8252	23747536.0
258.8237	15532799.0
266.8652	9805546.0
312.7841	10051801.0
316.7777	10734168.0
372.7383	19374863.0
382.8218	12815572.0
392.7685	10913351.0
434.7287	9943329.0
440.7322	10603010.0
488.6825	12267966.0