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Analysis: Other UNSPECIFIED ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
2-Hydroxybutyric acid2-Hydroxybutyric acidME281132-C05984-103.0408504
2-Oxoglutaric acid2-Oxoglutaric acidME281133-C00026-145.01426
2-Oxoisovaleric acidKetoisovaleric acidME281134-C00141-115.040617
2-Phosphoglyceric acid2-Phosphoglyceric acidME281135-C00631--
3-Hydroxybutyric acid3-Hydroxybutyric acidME281136-C01089,C03197-103.040937
3-Phosphoglyceric acid3-Phosphoglyceric acidME281137-C00197--
6-Phosphogluconic acid6-Phosphogluconic acidME281138-C00345--
Acetyl CoA_divalentAcetyl-CoAME281139-C00024--
AdenineAdenineME281140-C00147--
AdenosineAdenosineME281141-C00212--
ADPADPME281142-C00008--
AlaAlanineME281143-C00041,C00133,C01401-90.05506669
AMPAMPME281144-C00020--
Anthranilic acid2-Aminobenzoic acidME281145-C00108--
ArgArginineME281146-C00062,C00792-175.1181462
AsnAsparagineME281147-C00152,C01905,C16438-133.06018
AspAspartic acidME281148-C00049,C00402,C16433-134.0442458
ATPATPME281149-C00002--
BetaineBetaineME281150-C00719-118.086221
Betaine aldehyde_+H2OBetaine aldehydeME281151-C00576--
cAMP3',5' cyclic AMPME281152-C00575--
CarnosineCarnosineME281153-C00386--
CDPCDPME281154-C00112--
cGMP3',5' cyclic GMPME281155-C00942--
CholineCholineME281156-C00114-104.1071074
cis-Aconitic acidcis-Aconitic acidME281157-C00417-173.0093457
Citric acidCitric acidME281158-C00158-191.02096
CitrullineCitrullineME281159-C00327-176.1026223
CMPCMPME281160-C00055--
CoA_divalentCoenzyme AME281161-C00010--
CreatineCreatineME281162-C00300-132.0764431
CreatinineCreatinineME281163-C00791-114.0662042
CTPCTPME281164-C00063--
CysCysteineME281165-C00097,C00736,C00793-122.0260769
CytidineCytidineME281166-C00475--
CytosineCytosineME281167-C00380--
dATPdATPME281168-C00131--
dCTPdCTPME281169-C00458--
Dihydroxyacetone phosphateDihydroxyacetone phosphateME281170-C00111--
dTDPdTDPME281171-C00363--
dTMPdTMPME281172-C00364--
dTTPdTTPME281173-C00459--
Erythrose 4-phosphateErythrose 4-phosphateME281174-C00279,C03604--
Fructose 1,6-diphosphateFructose 1,6-bisphosphateME281175-C00354--
Fructose 6-phosphateFructose 6-phosphateME281176-C05345,C00085--
Fumaric acidFumaric acidME281177-C00122--
GABAgamma-Aminobutyric acidME281178-C00334--
GDPGDPME281179-C00035--
GlnGlutamineME281180-C00064,C00303,C00819-147.0760415
GluGlutamic acidME281181-C00025,C00217,C00302-148.06063
Gluconic acidGluconic acidME281182-C00257-195.0523588
Glucose 1-phosphateGlucose 1-phosphateME281183-C00103--
Glucose 6-phosphateGlucose 6-phosphateME281184-C00668,C01172,C00092--
Glutathione (GSH)GlutathioneME281185-C00051--
Glutathione (GSSG)_divalentOxidized glutathioneME281186-C00127--
GlyGlycineME281187-C00037-76.03936292
Glyceraldehyde 3-phosphateGlyceraldehyde 3-phosphateME281188-C00118,C00661--
Glycerol 3-phosphatesn-Glycero-3-phosphateME281189-C00093--
Glycolic acidGlycolic acidME281190-C00160--
Glyoxylic acidGlyoxylic acidME281191-C00048-72.9939825
GMPGMPME281192-C00144--
GTPGTPME281193-C00044--
GuanineGuanineME281194-C00242--
GuanosineGuanosineME281195-C00387--
HisHistidineME281196-C00135,C00768,C06419-156.0762523
HomoserineHomoserineME281197-C00263--
HydroxyprolineHydroxyprolineME281198-C01157-132.0651085
HypoxanthineHypoxanthineME281199-C00262-110.0263
IleIsoleucineME281200-C00407,C06418,C16434-132.1016396
IMPIMPME281201-C00130--
InosineInosineME281202-C00294--
Isocitric acidIsocitric acidME281203-C00311-191.0209171
Lactic acidLactic acidME281204-C00186,C00256,C01432-89.02471554
LeuLeucineME281205-C00123,C01570,C16439-132.1016085
LysLysineME281206-C00047,C00739,C16440-147.1126081
Malic acidMalic acidME281207-C00149,C00497,C00711-133.0145848
Malonyl CoA_divalentMalonyl-CoAME281208-C00083--
MetMethionineME281209-C00073,C00855,C01733-150.0578654
NAD+NAD+ME281211-C00003--
NADP+NADP+ME281212-C00006--
N,N-DimethylglycineDimethylglycineME281210-C01026-104.070729
OrnithineOrnithineME281213-C00077,C00515,C01602-133.0967754
PhePhenylalanineME281214-C00079,C02057,C02265-166.0859442
Phosphoenolpyruvic acidPhosphoenolpyruvic acidME281215-C00074--
ProProlineME281216-C00148,C00763,C16435-116.0705995
PRPPPhosphoribosyl pyrophosphateME281217-C00119--
PutrescinePutrescineME281218-C00134--
Pyruvic acidPyruvic acidME281219-C00022-87.00936538
Ribose 5-phosphateRibose 5-phosphateME281220-C00117--
Ribulose 5-phosphateRibulose 5-phosphateME281221-C00199,C01101--
S-AdenosylmethionineS-AdenosylmethionineME281222-C00019--
SarcosineSarcosineME281223-C00213-90.05506523
Sedoheptulose 7-phosphateSedoheptulose 7-phosphateME281224-C05382--
SerSerineME281225-C00065,C00716,C00740-106.0498046
SpermidineSpermidineME281226-C00315--
SpermineSpermineME281227-C00750--
Succinic acidSuccinic acidME281228-C00042-117.0200976
ThrThreonineME281229-C00188,C00820-120.0654289
ThymidineThymidineME281230-C00214--
ThymineThymineME281231-C00178--
TrpTryptophanME281232-C00078,C00525,C00806-205.0965638
TyrTyrosineME281233-C00082,C01536,C06420-182.0809246
TyramineTyramineME281234-C00483-138.0906722
UDPUDPME281235-C00015--
UMPUMPME281236-C00105--
UracilUracilME281237-C00106--
UridineUridineME281238-C00299-245.0791392
UTPUTPME281239-C00075--
ValValineME281240-C00183,C06417,C16436-118.0861927
β-Alabeta-AlanineME281241-C00099-90.05510788


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