comparison test-data/outTab_test2.tabular @ 1:52798007c6b2 draft default tip

Master branch Updating - - Fxx

1:52798007c6b2

id	masses	BiH_w4mBank_(MzDelta_Query-Bank(0.005Da)#MzBank#ENTRY#NAME#FORMULA#MASS#PATHWAYS#SOURCE#MODE#TISSUES)
C19H18O11	422.0849114	"0.0024114#422.0825#C00689#alpha,alpha'-Trehalose 6-phosphate#C12H23O14P#422.0825#NA#KEGG#NA#NA|0.0024114#422.0825#C02591#Sucrose 6-phosphate#C12H23O14P#422.0825#NA#KEGG#NA#NA|0.0024114#422.0825#C02995#Maltose 6'-phosphate#C12H23O14P#422.0825#NA#KEGG#NA#NA|0.0024114#422.0825#C04534#6-Phospho-beta-D-glucosyl-(1,4)-D-glucose#C12H23O14P#422.0825#NA#KEGG#NA#NA|0.0024114#422.0825#C05396#Lactose 6-phosphate#C12H23O14P#422.0825#NA#KEGG#NA#NA|0.0024114#422.0825#C16688#Sucrose-6-phosphate#C12H23O14P#422.0825#NA#KEGG#NA#NA|0.0024114#422.0825#C16689#poly-cis-Polyprenyl diphosphate longer by one C5 unit#C11H22O7P2#422.0825#NA#KEGG#NA#NA|0.0024114#422.0825#C16690#5-L-Glutamyl-D-glutamyl-peptide#C10H16N3O6R#422.0825#NA#KEGG#NA#NA|0.0024114#422.0825#C16691#DNA 2,6-diamino-5-formamido-3,4-dihydro-4-oxopyrimidine#C10H16N5O8P#422.0825#NA#KEGG#NA#NA|0.0024114#422.0825#C18050#beta-D-Fructofuranosyl-alpha-D-mannopyranoside 6F-phosphate#C12H23O14P#422.0825#NA#KEGG#NA#NA|0.0023704#422.082541#MJ059635#1,1'-Di-myo-inosityl phosphate #C12H23O14P#422.082541#NA#MeJP#NA#NA|0.0023694#422.082542#MJ059636#alpha,alpha'-Trehalose 6-phosphate #C12H23O14P#422.082542#NA#MeJP#NA#NA|0.0023694#422.082542#MJ059637#Lactose 6-phosphate #C12H23O14P#422.082542#NA#MeJP#NA#NA|0.0023694#422.082542#MJ059638#Maltose 6'-phosphate #C12H23O14P#422.082542#NA#MeJP#NA#NA|0.0023694#422.082542#MJ059639#Sugar 1-phosphate #C12H23O14P#422.082542#NA#MeJP#NA#NA|0.0023694#422.082542#MetaCyc03484#6-phospho-β-D-glucosyl-(1,4)-D-glucose []#C12H23O14P1#422.082542#NA#metacyc#NA#NA|0.0023694#422.082542#MetaCyc03485#maltose 6'-phosphate []#C12H23O14P1#422.082542#NA#metacyc#NA#NA|0.0023694#422.082542#MetaCyc03486#trehalose 6-phosphate [α,α-trehalose 6-phosphate;]#C12H23O14P1#422.082542#4484-88-2#metacyc#NA#NA|0.0023694#422.082542#MetaCyc03487#sucrose-6-phosphate [sucrose 6F-phosphate;sucrose-6-P;]#C12H23O14P1#422.082542#NA#metacyc#NA#NA|0.0023694#422.082542#MetaCyc03488#lactose 6'-phosphate []#C12H23O14P1#422.082542#NA#metacyc#NA#NA|0.0023694#422.082542#MetaCyc03489#6-phospho-β-D-glucosyl-(1,4)-D-glucose []#C12H23O14P1#422.082542#NA#metacyc#NA#NA|0.0023614#422.08255#HMDB01124#Trehalose 6-phosphate#C12H23O14P#422.08255#http://www.hmdb.ca/metabolites/HMDB01124#HMDB#NA#NA|0.0023614#422.08255#HMDB06789#Lactose 6-phosphate#C12H23O14P#422.08255#http://www.hmdb.ca/metabolites/HMDB06789#HMDB#NA#NA|0.0023614#422.08255#HMDB01124#Trehalose 6-phosphate#C12H23O14P#422.08255#HMDB01124#PFEM_hmdb_metabocards_official#NA#NA|0.0023614#422.08255#HMDB06789#Lactose 6-phosphate#C12H23O14P#422.08255#HMDB06789#PFEM_hmdb_metabocards_official#NA#NA|0.0023614#422.08255#HMDB01124#Trehalose 6-phosphate#C12H23O14P#422.08255#NA#HMDB2010#NA#NA|0.0023614#422.08255#HMDB06789#Lactose 6-phosphate#C12H23O14P#422.08255#NA#HMDB2010#NA#NA|0.0000114#422.0849#C10077#Mangiferin#C19H18O11#422.0849#NA#KEGG#NA#NA|0.0000114#422.0849#C10089#Norswertianolin#C19H18O11#422.0849#NA#KEGG#NA#NA|0.0000114#422.0849#C10095#Tripteroside#C19H18O11#422.0849#NA#KEGG#NA#NA|0.0000114#422.0849#C16979#Isomangiferin#C19H18O11#422.0849#NA#KEGG#NA#NA|0.0000004#422.084911#MJ059640#1,2,6,8-Tetrahydroxyxanthone; 1-O-?-D-Glucopyranoside #C19H18O11#422.084911#NA#MeJP#NA#NA|0.0000004#422.084911#MJ059641#1,2,6,8-Tetrahydroxyxanthone; 8-O-?-D-Glucopyranoside #C19H18O11#422.084911#NA#MeJP#NA#NA|0.0000004#422.084911#MJ059642#1,3,5,6-Tetrahydroxyxanthone; 3-O-?-D-Glucopyranoside #C19H18O11#422.084911#NA#MeJP#NA#NA|0.0000004#422.084911#MJ059643#1,3,5,8-Tetrahydroxyxanthone; 8-O-?-D-Glucopyranoside #C19H18O11#422.084911#NA#MeJP#NA#NA|0.0000004#422.084911#MJ059644#1,3,6,7-Tetrahydroxyxanthone; 6-O-?-D-Glucopyranoside #C19H18O11#422.084911#NA#MeJP#NA#NA|0.0000004#422.084911#MJ059645#2-Glucosyl-1,3,5,6-tetrahydroxyxanthone #C19H18O11#422.084911#NA#MeJP#NA#NA|0.0000004#422.084911#MJ059646#Chrysograyanone #C19H18O11#422.084911#NA#MeJP#NA#NA|0.0000004#422.084911#MJ059647#Dilatatin #C19H18O11#422.084911#NA#MeJP#NA#NA|0.0000004#422.084911#MJ059648#Isomangiferin #C19H18O11#422.084911#NA#MeJP#NA#NA|0.0000004#422.084911#MJ059649#Mangiferin #C19H18O11#422.084911#NA#MeJP#NA#NA|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|0.0000047#18.01056#HMDB02111#Water#H2O#18.01056#http://www.hmdb.ca/metabolites/HMDB02111#HMDB#NA#NA|0.0000047#18.01056#HMDB02111#Water#H2O#18.01056#HMDB02111#PFEM_hmdb_metabocards_official#NA#NA|0.0000007#18.010564#MJ000004#Water #H2O#18.010564#NA#MeJP#NA#NA|0.0000007#18.010564#MJ000005#H2O #H2O#18.010564#NA#MeJP#NA#NA|0.0000003#18.010565#MetaCyc00008#H2O [H20;hydrogen oxide;water;]#H2O1#18.010565#7732-18-5#metacyc#NA#NA|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|0.0036066#535.314517#MJ078446#Neoline; O8,O14-Di-Ac, O1-Me #C29H45NO8#535.314517#NA#MeJP#NA#NA|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
"Picolinic acid"	199.951068	"0.003776#199.947292#MJ006975#3-Bromo-4-hydroxybenzaldehyde #C7H5BrO2#199.947292#NA#MeJP#NA#NA|0.003776#199.947292#MJ006976#3-Bromobenzoic acid #C7H5BrO2#199.947292#NA#MeJP#NA#NA"