view test-data/out3.tabular @ 1:e2cbcf6fa22e draft

master branch Updating with tag :CI_COMMIT_TAG - - Fxx
author fgiacomoni
date Sun, 11 Dec 2022 17:16:43 +0000
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ID	MASS_SUBMIT	CPD_FORMULA	CPD_MW	DELTA
mass_01	427.019898895	C18H10N3O8P1	427.0205509	-0.65
mass_01	427.019898895	C13H7N11O3P2	427.0208564	-0.96
mass_01	427.019898895	C12H11N7O7P2	427.0195190	0.38
mass_01	427.019898895	C22H12N3O1P3	427.0193219	0.58
mass_01	427.019898895	C13H5N11O5S1	427.0195830	0.32
mass_01	427.019898895	C10H14N5O10P1S1	427.0198990	-0.00
mass_01	427.019898895	C20H15N1O4P2S1	427.0197019	0.20
mass_01	427.019898895	C21H9N5O2S2	427.0197659	0.13
mass_01	427.019898895	C13H15N7O2P2S2	427.0203874	-0.49
mass_01	427.019898895	C12H19N3O6P2S2	427.0190500	0.85
mass_01	427.019898895	C10H24N1O7P3S2	427.0207034	-0.80
mass_01	427.019898895	C14H9N11S3	427.0204514	-0.55
mass_01	427.019898895	C13H13N7O4S3	427.0191140	0.78
mass_01	427.019898895	C11H18N5O5P1S3	427.0207674	-0.87
mass_01	427.019898895	C10H22N1O9P1S3	427.0194300	0.47
mass_01	427.019898895	C21H17N1O1S4	427.0192969	0.60
mass_01	427.019898895	C13H23N3O1P2S4	427.0199184	-0.02
mass_01	427.019898895	C11H26N1O4P1S5	427.0202984	-0.40