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Analysis: Other NEGATIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
2-Aminomuconic acid semialdehyde-ME426910----
2-Hydroxyadipic acid2-Hydroxyadipic acidME426911----
2-Hydroxybutyric acid2-Hydroxybutyric acidME426912----
2-Hydroxyglutarate2-Hydroxyglutaric acidME426913----
2-Methylglutaric acid2-Methylglutaric acidME426914----
2-Phospho-D-glyceric acid2-Phosphoglyceric acidME426915----
2-Propylglutaric acid2-Propylglutaric acidME426916----
(2R)-2-Hydroxy-3-(phosphonatooxy)propanoate3-Phosphoglyceric acidME426909----
3-Dehydro-L-gulonate-ME426917----
3-Hydroxybutyric acid3-Hydroxybutyric acidME426918----
3-Hydroxymethylglutaric acid3-Hydroxymethylglutaric acidME426919----
3-Sulfinoalanine3-Sulfino-alanineME426920----
5-L-Glutamyl-L-alaninegamma-GlutamylalanineME426922----
5-L-Glutamyl-taurine5-L-Glutamyl-taurineME426923----
5'-Phosphoribosyl-N-formylglycinamideFGARME426921----
5-Thymidylic aciddTMPME426924----
6-Phosphogluconic acid6-Phosphogluconic acidME426925----
AcetylcysteineN-AcetylcysteineME426926----
Adenosine diphosphate riboseADP-riboseME426927----
Adenosine monophosphateAMPME426928----
Adenosine triphosphateATPME426929----
ADPADPME426930----
ADP-glucoseADP-glucoseME426931----
Alpha-D-Glucose 1,6-bisphosphateGlucose 1,6-bisphosphateME426932----
Beta-D-Glucose 6-phosphate-ME426933----
CDPCDPME426934----
CDP-EthanolamineCDP-EthanolamineME426935----
cis-Aconitic acidcis-Aconitic acidME426936----
Citric acidCitric acidME426937----
Cysteic acidCysteic acidME426938----
Cytidine monophosphateCMPME426939----
Cytidine monophosphate N-acetylneuraminic acidCytidine monophosphate N-acetylneuraminic acidME426940----
Cytidine triphosphateCTPME426941----
dADPdADPME426950----
dCDPdCDPME426951----
dCMPdCMPME426952----
dCTPdCTPME426953----
D-Erythrose 4-phosphateErythrose 4-phosphateME426942----
D-Fructose 2,6-bisphosphateFructose 2,6-bisphosphateME426943----
D-Glucaric acidGlucaric acidME426944----
D-GlucoseGlucoseME426945----
D-Glucuronic acid 1-phosphate-ME426946----
dGTPdGTPME426954----
D-Mannose 1-phosphateMannose 1-phosphateME426947----
D-Ribose 5-phosphateRibose 5-phosphateME426948----
D-Sedoheptulose 7-phosphateD-Sedoheptulose 7-phosphateME426949----
dTDPdTDPME426955----
dUMPdUMPME426956----
Fructose 1,6-bisphosphateFructose 1,6-bisphosphateME426958----
Fructose 1-phosphateFructose 1-phosphateME426957----
Fructose 6-phosphateFructose 6-phosphateME426959----
Fumaric acidFumaric acidME426960----
Galactaric acidGalactaric acidME426961----
Galactose 1-phosphateGalactose 1-phosphateME426962----
Galacturonic acidGalacturonic acidME426963----
Gamma Glutamylglutamic acidgamma-Glutamylglutamic acidME426964----
Glucaric acidGlucaric acidME426965----
Gluconic acidGluconic acidME426966----
Glucose 1-phosphateGlucose 1-phosphateME426967----
Glutaric acidGlutaric acidME426968----
GlutathioneGlutathioneME426969----
Glycerol 3-phosphatesn-Glycero-3-phosphateME426970----
Glycerylphosphorylethanolaminesn-Glycero-3-phosphoethanolamineME426971----
Guanosine diphosphateGDPME426972----
Guanosine diphosphate mannoseGDP-mannoseME426973----
Guanosine monophosphateGMPME426974----
Guanosine triphosphateGTPME426975----
Homocysteinesulfinic acidHomocysteinesulfinic acidME426976----
Hydroxypropanedioic acidHydroxypropanedioic acidME426977----
InosineInosineME426978----
Inosinic acidIMPME426979----
Isocitric acidIsocitric acidME426980----
KetoleucineKetoleucineME426981----
L-4-Hydroxyglutamate semialdehyde-ME426982----
L-Aspartic acidAspartic acidME426983----
L-beta-aspartyl-L-glutamic acid-ME426984----
L-Glutamic acidGlutamic acidME426985----
L-Lactic acidLactic acidME426986----
L-Malic acidMalic acidME426987----
Malonic acidMalonic acidME426988----
Mannose 6-phosphateMannose 6-phosphateME426989----
Mesaconic acidMesaconic acidME426990----
Methylmalonic acidMethylmalonic acidME426991----
N-Acetyl-D-Glucosamine 6-PhosphateN-Acetyl-glucosamine 6-phosphateME426992----
N-Acetyl-glucosamine 1-phosphateN-Acetyl-D-glucosamine 1-phosphateME426993----
N-Acetylglutamic acidN-Acetylglutamic acidME426996----
N-Acetyl-L-aspartic acidN-Acetylaspartic acidME426994----
N-AcetylleucineN-AcetylleucineME426997----
N-Acetyl-L-methionineN-AcetylmethionineME426995----
N-Acetylneuraminic acidN-Acetylneuraminic acidME426998----
NADHNADHME427000----
N-Formyl-L-methionineN-FormylmethionineME426999----
O-PhosphoethanolaminePhosphoethanolamineME427001----
Orotic acidOrotic acidME427002----
OrotidineOrotidineME427003----
Oxalic acidOxalic acidME427004----
Oxoglutaric acid2-Oxoglutaric acidME427005----
Pantothenic acidPantothenic acidME427006----
PhosphocreatinePhosphocreatineME427007----
Phosphoenolpyruvic acidPhosphoenolpyruvic acidME427008----
Phosphoric acidPhosphoric acidME427009----
PhosphoserinePhosphoserineME427010----
Pyridoxal 5'-phosphatePyridoxal 5'-phosphateME427011----
Pyroglutamic acidPyroglutamic acidME427012----
PyrophosphatePyrophosphateME427013----
Pyruvic acidPyruvic acidME427014----
Ribonic acidRibonic acidME427015----
Ribose 1,5-bisphosphateRibose 1,5-bisphosphateME427017----
Ribose 1-phosphateRibose 1-phosphateME427016----
Sedoheptulose 1,7-bisphosphateSedoheptulose 1,7-bisphosphateME427018----
Succinic acidSuccinic acidME427019----
Succinic acid semialdehydeSuccinic acid semialdehydeME427020----
Sulfate-ME427021----
TaurineTaurineME427022----
Thiamine pyrophosphateThiamine diphosphateME427023----
Threonic acidThreonic acidME427024----
UDP-GlucoseUDP-glucoseME427025----
Ureidosuccinic acidN-Carbamoylaspartic acidME427026----
Uric acidUric acidME427027----
UridineUridineME427028----
Uridine 5'-diphosphateUDPME427029----
Uridine 5'-monophosphateUMPME427030----
Uridine diphosphate glucoseUDP-glucoseME427033----
Uridine diphosphate-N-acetylgalactosamineUDP-N-acetylgalactosamineME427031----
Uridine diphosphate-N-acetylglucosamineUDP-N-acetylglucosamineME427032----
Uridine triphosphateUTPME427034----
Xanthylic acidXMPME427035----


Analysis: HILIC POSITIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
4-hydroxyprolinecis-4-HydroxyprolineME427036----
AcetylcholineAcetylcholineME427037----
AlanineAlanineME427038----
ArginineArginineME427039----
AsparagineAsparagineME427040----
AspartateAspartic acidME427041----
CarnitineCarnitineME427042----
CitrullineCitrullineME427043----
CreatineCreatineME427044----
CreatinineCreatinineME427045----
GlutamateGlutamic acidME427046----
GlutamineGlutamineME427047----
GlycineGlycineME427048----
HistidineHistidineME427049----
hypotaurineHypotaurineME427050----
IsoLeucineIsoleucineME427051----
LeucineLeucineME427052----
LysineLysineME427053----
MethionineMethionineME427054----
OrnithineOrnithineME427055----
phenylalaine-ME427056----
ProlineProlineME427057----
pyroglutamic acidPyroglutamic acidME427058----
SarcosineSarcosineME427059----
SerineSerineME427060----
ThreonineThreonineME427061----
TryptophanTryptophanME427062----
TyrosineTyrosineME427063----
ValineValineME427064----


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