view test-data/out_test2b.tabular @ 0:be582bcd6585 draft

Master branch Updating - - Fxx
author fgiacomoni
date Thu, 04 Oct 2018 10:37:14 -0400
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MASS_Submit	DELTA_mass(0.005Da)	MASS_Result	ENTRY	NAME	FORMULA	MASS	PATHWAYS	SOURCE	MODE	TISSUES
422.0849114	0.0024114	422.0825	C00689	alpha,alpha'-Trehalose 6-phosphate	C12H23O14P	422.0825	NA	KEGG	NA	NA
422.0849114	0.0024114	422.0825	C02591	Sucrose 6-phosphate	C12H23O14P	422.0825	NA	KEGG	NA	NA
422.0849114	0.0024114	422.0825	C02995	Maltose 6'-phosphate	C12H23O14P	422.0825	NA	KEGG	NA	NA
422.0849114	0.0024114	422.0825	C04534	6-Phospho-beta-D-glucosyl-(1,4)-D-glucose	C12H23O14P	422.0825	NA	KEGG	NA	NA
422.0849114	0.0024114	422.0825	C05396	Lactose 6-phosphate	C12H23O14P	422.0825	NA	KEGG	NA	NA
422.0849114	0.0024114	422.0825	C16688	Sucrose-6-phosphate	C12H23O14P	422.0825	NA	KEGG	NA	NA
422.0849114	0.0024114	422.0825	C16689	poly-cis-Polyprenyl diphosphate longer by one C5 unit	C11H22O7P2	422.0825	NA	KEGG	NA	NA
422.0849114	0.0024114	422.0825	C16690	5-L-Glutamyl-D-glutamyl-peptide	C10H16N3O6R	422.0825	NA	KEGG	NA	NA
422.0849114	0.0024114	422.0825	C16691	DNA 2,6-diamino-5-formamido-3,4-dihydro-4-oxopyrimidine	C10H16N5O8P	422.0825	NA	KEGG	NA	NA
422.0849114	0.0024114	422.0825	C18050	beta-D-Fructofuranosyl-alpha-D-mannopyranoside 6F-phosphate	C12H23O14P	422.0825	NA	KEGG	NA	NA
422.0849114	0.0023704	422.082541	MJ059635	1,1'-Di-myo-inosityl phosphate 	C12H23O14P	422.082541	NA	MeJP	NA	NA
422.0849114	0.0023694	422.082542	MJ059636	alpha,alpha'-Trehalose 6-phosphate 	C12H23O14P	422.082542	NA	MeJP	NA	NA
422.0849114	0.0023694	422.082542	MJ059637	Lactose 6-phosphate 	C12H23O14P	422.082542	NA	MeJP	NA	NA
422.0849114	0.0023694	422.082542	MJ059638	Maltose 6'-phosphate 	C12H23O14P	422.082542	NA	MeJP	NA	NA
422.0849114	0.0023694	422.082542	MJ059639	Sugar 1-phosphate 	C12H23O14P	422.082542	NA	MeJP	NA	NA
422.0849114	0.0023694	422.082542	MetaCyc03484	6-phospho-β-D-glucosyl-(1,4)-D-glucose []	C12H23O14P1	422.082542	NA	metacyc	NA	NA
422.0849114	0.0023694	422.082542	MetaCyc03485	maltose 6'-phosphate []	C12H23O14P1	422.082542	NA	metacyc	NA	NA
422.0849114	0.0023694	422.082542	MetaCyc03486	trehalose 6-phosphate [α,α-trehalose 6-phosphate;]	C12H23O14P1	422.082542	4484-88-2	metacyc	NA	NA
422.0849114	0.0023694	422.082542	MetaCyc03487	sucrose-6-phosphate [sucrose 6F-phosphate;sucrose-6-P;]	C12H23O14P1	422.082542	NA	metacyc	NA	NA
422.0849114	0.0023694	422.082542	MetaCyc03488	lactose 6'-phosphate []	C12H23O14P1	422.082542	NA	metacyc	NA	NA
422.0849114	0.0023694	422.082542	MetaCyc03489	6-phospho-β-D-glucosyl-(1,4)-D-glucose []	C12H23O14P1	422.082542	NA	metacyc	NA	NA
422.0849114	0.0023614	422.08255	HMDB01124	Trehalose 6-phosphate	C12H23O14P	422.08255	http://www.hmdb.ca/metabolites/HMDB01124	HMDB	NA	NA
422.0849114	0.0023614	422.08255	HMDB06789	Lactose 6-phosphate	C12H23O14P	422.08255	http://www.hmdb.ca/metabolites/HMDB06789	HMDB	NA	NA
422.0849114	0.0023614	422.08255	HMDB01124	Trehalose 6-phosphate	C12H23O14P	422.08255	HMDB01124	PFEM_hmdb_metabocards_official	NA	NA
422.0849114	0.0023614	422.08255	HMDB06789	Lactose 6-phosphate	C12H23O14P	422.08255	HMDB06789	PFEM_hmdb_metabocards_official	NA	NA
422.0849114	0.0023614	422.08255	HMDB01124	Trehalose 6-phosphate	C12H23O14P	422.08255	NA	HMDB2010	NA	NA
422.0849114	0.0023614	422.08255	HMDB06789	Lactose 6-phosphate	C12H23O14P	422.08255	NA	HMDB2010	NA	NA
422.0849114	0.0000114	422.0849	C10077	Mangiferin	C19H18O11	422.0849	NA	KEGG	NA	NA
422.0849114	0.0000114	422.0849	C10089	Norswertianolin	C19H18O11	422.0849	NA	KEGG	NA	NA
422.0849114	0.0000114	422.0849	C10095	Tripteroside	C19H18O11	422.0849	NA	KEGG	NA	NA
422.0849114	0.0000114	422.0849	C16979	Isomangiferin	C19H18O11	422.0849	NA	KEGG	NA	NA
422.0849114	0.0000004	422.084911	MJ059640	1,2,6,8-Tetrahydroxyxanthone; 1-O-?-D-Glucopyranoside 	C19H18O11	422.084911	NA	MeJP	NA	NA
422.0849114	0.0000004	422.084911	MJ059641	1,2,6,8-Tetrahydroxyxanthone; 8-O-?-D-Glucopyranoside 	C19H18O11	422.084911	NA	MeJP	NA	NA
422.0849114	0.0000004	422.084911	MJ059642	1,3,5,6-Tetrahydroxyxanthone; 3-O-?-D-Glucopyranoside 	C19H18O11	422.084911	NA	MeJP	NA	NA
422.0849114	0.0000004	422.084911	MJ059643	1,3,5,8-Tetrahydroxyxanthone; 8-O-?-D-Glucopyranoside 	C19H18O11	422.084911	NA	MeJP	NA	NA
422.0849114	0.0000004	422.084911	MJ059644	1,3,6,7-Tetrahydroxyxanthone; 6-O-?-D-Glucopyranoside 	C19H18O11	422.084911	NA	MeJP	NA	NA
422.0849114	0.0000004	422.084911	MJ059645	2-Glucosyl-1,3,5,6-tetrahydroxyxanthone 	C19H18O11	422.084911	NA	MeJP	NA	NA
422.0849114	0.0000004	422.084911	MJ059646	Chrysograyanone 	C19H18O11	422.084911	NA	MeJP	NA	NA
422.0849114	0.0000004	422.084911	MJ059647	Dilatatin 	C19H18O11	422.084911	NA	MeJP	NA	NA
422.0849114	0.0000004	422.084911	MJ059648	Isomangiferin 	C19H18O11	422.084911	NA	MeJP	NA	NA
422.0849114	0.0000004	422.084911	MJ059649	Mangiferin 	C19H18O11	422.084911	NA	MeJP	NA	NA
422.0849114	0.0000004	422.084911	MJ059650	Nigricanside 	C19H18O11	422.084911	NA	MeJP	NA	NA
18.0105647	0.0000057	18.010559	HMDB02111	Water	H2O	18.010559	NA	HMDB2010	NA	NA
18.0105647	0.0000047	18.01056	HMDB02111	Water	H2O	18.01056	http://www.hmdb.ca/metabolites/HMDB02111	HMDB	NA	NA
18.0105647	0.0000047	18.01056	HMDB02111	Water	H2O	18.01056	HMDB02111	PFEM_hmdb_metabocards_official	NA	NA
18.0105647	0.0000007	18.010564	MJ000004	Water 	H2O	18.010564	NA	MeJP	NA	NA
18.0105647	0.0000007	18.010564	MJ000005	H2O 	H2O	18.010564	NA	MeJP	NA	NA
18.0105647	0.0000003	18.010565	MetaCyc00008	H2O [H20;hydrogen oxide;water;]	H2O1	18.010565	7732-18-5	metacyc	NA	NA
18.0105647	0.0000353	18.0106	C00001	H2O	H2O	18.0106	NA	KEGG	NA	NA
535.3181236	0.0036066	535.314517	MJ078445	Labiatamide A 	C29H45NO8	535.314517	NA	MeJP	NA	NA
535.3181236	0.0036066	535.314517	MJ078446	Neoline; O8,O14-Di-Ac, O1-Me 	C29H45NO8	535.314517	NA	MeJP	NA	NA
535.3181236	0.0036066	535.314517	MJ078447	Zygadenine; O3-Ac 	C29H45NO8	535.314517	NA	MeJP	NA	NA
209.987659	0.000604	209.987055	MJ008190	Zinc(II) propanoate 	C6H10O4Zn	209.987055	NA	MeJP	NA	NA
98.952389	no results found									
199.951068	0.003776	199.947292	MJ006975	3-Bromo-4-hydroxybenzaldehyde 	C7H5BrO2	199.947292	NA	MeJP	NA	NA
199.951068	0.003776	199.947292	MJ006976	3-Bromobenzoic acid 	C7H5BrO2	199.947292	NA	MeJP	NA	NA