diff test-data/outFull_test2.tabular @ 1:52798007c6b2 draft default tip

Master branch Updating - - Fxx
author fgiacomoni
date Thu, 24 Jan 2019 10:02:05 -0500
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--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/outFull_test2.tabular	Thu Jan 24 10:02:05 2019 -0500
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+id	masses	MzDelta_Query-Bank(0.005Da)_BiH_w4mBank	MzBank_BiH_w4mBank	ENTRY_BiH_w4mBank	NAME_BiH_w4mBank	FORMULA_BiH_w4mBank	MASS_BiH_w4mBank	PATHWAYS_BiH_w4mBank	SOURCE_BiH_w4mBank	MODE_BiH_w4mBank	TISSUES_BiH_w4mBank
+C19H18O11	422.0849114	0.0024114	422.0825	C00689	alpha,alpha'-Trehalose 6-phosphate	C12H23O14P	422.0825	NA	KEGG	NA	NA
+C19H18O11	422.0849114	0.0024114	422.0825	C02591	Sucrose 6-phosphate	C12H23O14P	422.0825	NA	KEGG	NA	NA
+C19H18O11	422.0849114	0.0024114	422.0825	C02995	Maltose 6'-phosphate	C12H23O14P	422.0825	NA	KEGG	NA	NA
+C19H18O11	422.0849114	0.0024114	422.0825	C04534	6-Phospho-beta-D-glucosyl-(1,4)-D-glucose	C12H23O14P	422.0825	NA	KEGG	NA	NA
+C19H18O11	422.0849114	0.0024114	422.0825	C05396	Lactose 6-phosphate	C12H23O14P	422.0825	NA	KEGG	NA	NA
+C19H18O11	422.0849114	0.0024114	422.0825	C16688	Sucrose-6-phosphate	C12H23O14P	422.0825	NA	KEGG	NA	NA
+C19H18O11	422.0849114	0.0024114	422.0825	C16689	poly-cis-Polyprenyl diphosphate longer by one C5 unit	C11H22O7P2	422.0825	NA	KEGG	NA	NA
+C19H18O11	422.0849114	0.0024114	422.0825	C16690	5-L-Glutamyl-D-glutamyl-peptide	C10H16N3O6R	422.0825	NA	KEGG	NA	NA
+C19H18O11	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
+C19H18O11	422.0849114	0.0024114	422.0825	C18050	beta-D-Fructofuranosyl-alpha-D-mannopyranoside 6F-phosphate	C12H23O14P	422.0825	NA	KEGG	NA	NA
+C19H18O11	422.0849114	0.0023704	422.082541	MJ059635	1,1'-Di-myo-inosityl phosphate 	C12H23O14P	422.082541	NA	MeJP	NA	NA
+C19H18O11	422.0849114	0.0023694	422.082542	MJ059636	alpha,alpha'-Trehalose 6-phosphate 	C12H23O14P	422.082542	NA	MeJP	NA	NA
+C19H18O11	422.0849114	0.0023694	422.082542	MJ059637	Lactose 6-phosphate 	C12H23O14P	422.082542	NA	MeJP	NA	NA
+C19H18O11	422.0849114	0.0023694	422.082542	MJ059638	Maltose 6'-phosphate 	C12H23O14P	422.082542	NA	MeJP	NA	NA
+C19H18O11	422.0849114	0.0023694	422.082542	MJ059639	Sugar 1-phosphate 	C12H23O14P	422.082542	NA	MeJP	NA	NA
+C19H18O11	422.0849114	0.0023694	422.082542	MetaCyc03484	6-phospho-β-D-glucosyl-(1,4)-D-glucose []	C12H23O14P1	422.082542	NA	metacyc	NA	NA
+C19H18O11	422.0849114	0.0023694	422.082542	MetaCyc03485	maltose 6'-phosphate []	C12H23O14P1	422.082542	NA	metacyc	NA	NA
+C19H18O11	422.0849114	0.0023694	422.082542	MetaCyc03486	trehalose 6-phosphate [α,α-trehalose 6-phosphate;]	C12H23O14P1	422.082542	4484-88-2	metacyc	NA	NA
+C19H18O11	422.0849114	0.0023694	422.082542	MetaCyc03487	sucrose-6-phosphate [sucrose 6F-phosphate;sucrose-6-P;]	C12H23O14P1	422.082542	NA	metacyc	NA	NA
+C19H18O11	422.0849114	0.0023694	422.082542	MetaCyc03488	lactose 6'-phosphate []	C12H23O14P1	422.082542	NA	metacyc	NA	NA
+C19H18O11	422.0849114	0.0023694	422.082542	MetaCyc03489	6-phospho-β-D-glucosyl-(1,4)-D-glucose []	C12H23O14P1	422.082542	NA	metacyc	NA	NA
+C19H18O11	422.0849114	0.0023614	422.08255	HMDB01124	Trehalose 6-phosphate	C12H23O14P	422.08255	http://www.hmdb.ca/metabolites/HMDB01124	HMDB	NA	NA
+C19H18O11	422.0849114	0.0023614	422.08255	HMDB06789	Lactose 6-phosphate	C12H23O14P	422.08255	http://www.hmdb.ca/metabolites/HMDB06789	HMDB	NA	NA
+C19H18O11	422.0849114	0.0023614	422.08255	HMDB01124	Trehalose 6-phosphate	C12H23O14P	422.08255	HMDB01124	PFEM_hmdb_metabocards_official	NA	NA
+C19H18O11	422.0849114	0.0023614	422.08255	HMDB06789	Lactose 6-phosphate	C12H23O14P	422.08255	HMDB06789	PFEM_hmdb_metabocards_official	NA	NA
+C19H18O11	422.0849114	0.0023614	422.08255	HMDB01124	Trehalose 6-phosphate	C12H23O14P	422.08255	NA	HMDB2010	NA	NA
+C19H18O11	422.0849114	0.0023614	422.08255	HMDB06789	Lactose 6-phosphate	C12H23O14P	422.08255	NA	HMDB2010	NA	NA
+C19H18O11	422.0849114	0.0000114	422.0849	C10077	Mangiferin	C19H18O11	422.0849	NA	KEGG	NA	NA
+C19H18O11	422.0849114	0.0000114	422.0849	C10089	Norswertianolin	C19H18O11	422.0849	NA	KEGG	NA	NA
+C19H18O11	422.0849114	0.0000114	422.0849	C10095	Tripteroside	C19H18O11	422.0849	NA	KEGG	NA	NA
+C19H18O11	422.0849114	0.0000114	422.0849	C16979	Isomangiferin	C19H18O11	422.0849	NA	KEGG	NA	NA
+C19H18O11	422.0849114	0.0000004	422.084911	MJ059640	1,2,6,8-Tetrahydroxyxanthone; 1-O-?-D-Glucopyranoside 	C19H18O11	422.084911	NA	MeJP	NA	NA
+C19H18O11	422.0849114	0.0000004	422.084911	MJ059641	1,2,6,8-Tetrahydroxyxanthone; 8-O-?-D-Glucopyranoside 	C19H18O11	422.084911	NA	MeJP	NA	NA
+C19H18O11	422.0849114	0.0000004	422.084911	MJ059642	1,3,5,6-Tetrahydroxyxanthone; 3-O-?-D-Glucopyranoside 	C19H18O11	422.084911	NA	MeJP	NA	NA
+C19H18O11	422.0849114	0.0000004	422.084911	MJ059643	1,3,5,8-Tetrahydroxyxanthone; 8-O-?-D-Glucopyranoside 	C19H18O11	422.084911	NA	MeJP	NA	NA
+C19H18O11	422.0849114	0.0000004	422.084911	MJ059644	1,3,6,7-Tetrahydroxyxanthone; 6-O-?-D-Glucopyranoside 	C19H18O11	422.084911	NA	MeJP	NA	NA
+C19H18O11	422.0849114	0.0000004	422.084911	MJ059645	2-Glucosyl-1,3,5,6-tetrahydroxyxanthone 	C19H18O11	422.084911	NA	MeJP	NA	NA
+C19H18O11	422.0849114	0.0000004	422.084911	MJ059646	Chrysograyanone 	C19H18O11	422.084911	NA	MeJP	NA	NA
+C19H18O11	422.0849114	0.0000004	422.084911	MJ059647	Dilatatin 	C19H18O11	422.084911	NA	MeJP	NA	NA
+C19H18O11	422.0849114	0.0000004	422.084911	MJ059648	Isomangiferin 	C19H18O11	422.084911	NA	MeJP	NA	NA
+C19H18O11	422.0849114	0.0000004	422.084911	MJ059649	Mangiferin 	C19H18O11	422.084911	NA	MeJP	NA	NA
+C19H18O11	422.0849114	0.0000004	422.084911	MJ059650	Nigricanside 	C19H18O11	422.084911	NA	MeJP	NA	NA
+H2O	18.0105647	0.0000057	18.010559	HMDB02111	Water	H2O	18.010559	NA	HMDB2010	NA	NA
+H2O	18.0105647	0.0000047	18.01056	HMDB02111	Water	H2O	18.01056	http://www.hmdb.ca/metabolites/HMDB02111	HMDB	NA	NA
+H2O	18.0105647	0.0000047	18.01056	HMDB02111	Water	H2O	18.01056	HMDB02111	PFEM_hmdb_metabocards_official	NA	NA
+H2O	18.0105647	0.0000007	18.010564	MJ000004	Water 	H2O	18.010564	NA	MeJP	NA	NA
+H2O	18.0105647	0.0000007	18.010564	MJ000005	H2O 	H2O	18.010564	NA	MeJP	NA	NA
+H2O	18.0105647	0.0000003	18.010565	MetaCyc00008	H2O [H20;hydrogen oxide;water;]	H2O1	18.010565	7732-18-5	metacyc	NA	NA
+H2O	18.0105647	0.0000353	18.0106	C00001	H2O	H2O	18.0106	NA	KEGG	NA	NA
+C18H45N7O11	535.3181236	0.0036066	535.314517	MJ078445	Labiatamide A 	C29H45NO8	535.314517	NA	MeJP	NA	NA
+C18H45N7O11	535.3181236	0.0036066	535.314517	MJ078446	Neoline; O8,O14-Di-Ac, O1-Me 	C29H45NO8	535.314517	NA	MeJP	NA	NA
+C18H45N7O11	535.3181236	0.0036066	535.314517	MJ078447	Zygadenine; O3-Ac 	C29H45NO8	535.314517	NA	MeJP	NA	NA
+Bismuth	209.987659	0.000604	209.987055	MJ008190	Zinc(II) propanoate 	C6H10O4Zn	209.987055	NA	MeJP	NA	NA
+Halothane	98.952389	No_match_in_bank	NA	NA	NA	NA	NA	NA	NA	NA	NA
+Picolinic acid	199.951068	0.003776	199.947292	MJ006975	3-Bromo-4-hydroxybenzaldehyde 	C7H5BrO2	199.947292	NA	MeJP	NA	NA
+Picolinic acid	199.951068	0.003776	199.947292	MJ006976	3-Bromobenzoic acid 	C7H5BrO2	199.947292	NA	MeJP	NA	NA