Mercurial > repos > computational-metabolomics > mspurity_createdatabase

view test-data/createMSP_input_metadata.tsv @ 0:f52287a06c02 draft

Find changesets by keywords (author, files, the commit message), revision number or hash, or revset expression.
"planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit cb903cd93f9378cfb5eeb68512a54178dcea7bbc-dirty"
author computational-metabolomics
date Wed, 27 Nov 2019 13:44:58 -0500
parents
children
line wrap: on
line source

grpid	isotope	adduct	AC$CHROMATOGRAPHY: COLUMN_NAME	AC$MASS_SPECTROMETRY: ION_MODE	AC$MASS_SPECTROMETRY: MS_TYPE	CH$LINK: INCHIKEY	CH$LINK: PUBCHEM	CH$NAME
8		[M+H]+ 165.078	Acclaim RSLC C18 2.2um 2.1x100mm Thermo	POSITIVE	MS2	VACCAVUAMIDAGB-UHFFFAOYSA-N	CID:5328	SomeCompound
12	[4][M]+	[M+NH4]+ 103.047 [M+H+NH3]+ 103.047	Acclaim RSLC C18 2.2um 2.1x100mm Thermo	POSITIVE	MS2	VACCAVUAMIDAGB-UHFFFAOYSA-N	CID:5328	Unknown