Mercurial > repos > tomnl > mspurity_averagefragspectra

view test-data/combineAnnotations_input_beams.tsv @ 14:1f74d9d92834 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 ee6b57a84748b56c26646f7c37feabcb87a25430
author tomnl
date Fri, 27 Sep 2019 09:16:59 -0400
parents e0b1da3ed06b
children
line wrap: on
line source

name	mz	rt	intensity	exact_mass	ppm_error	adduct	C	H	N	O	P	S	molecular_formula	compound_name	compound_id
M116T48	116.070798346478	48.102596282959	111060511.65675	116.070605	-1.66576609124689	[M+H]+	5	9	1	2	0	0	C5H9NO2	L-Proline	HMDB0000162
M116T48	116.070798346478	48.102596282959	111060511.65675	116.070605	-1.66576609124689	[M+H]+	5	9	1	2	0	0	C5H9NO2	Phosphorus	HMDB0001315
M116T48	116.070798346478	48.102596282959	111060511.65675	116.070605	-1.66576609124689	[M+H]+	5	9	1	2	0	0	C5H9NO2	D-Proline	HMDB0003411
M116T48	116.070798346478	48.102596282959	111060511.65675	116.070605	-1.66576609124689	[M+H]+	5	9	1	2	0	0	C5H9NO2	Acetamidopropanal	HMDB0012880
M116T48	116.070798346478	48.102596282959	111060511.65675	116.070605	-1.66576609124689	[M+H]+	5	9	1	2	0	0	C5H9NO2	4-Amino-2-methylenebutanoic acid	HMDB0030409
M116T48	116.070798346478	48.102596282959	111060511.65675	116.070605	-1.66576609124689	[M+H]+	5	9	1	2	0	0	C5H9NO2	Pterolactam	HMDB0034208