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Analysis: CE UNSPECIFIED ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
2,3-Diphosphoglyceric acid2,3-Diphosphoglyceric acidME270862-C01159--
2-hydroxyglutaric acid2-Hydroxyglutaric acidME270863-C02630,C01087,C03196--
2-Phosphoglyceric acid2-Phosphoglyceric acidME270864-C00631--
3',5' cyclic AMP3',5' cyclic AMPME270865-C00575--
3-hydroxy-3-methylglutaryl-CoA3-Hydroxy-3-methylglutaryl-CoAME270866-C00356--
3-Phosphoglyceric acid3-Phosphoglyceric acidME270867-C00197--
6-Phosphogluconic acid6-Phosphogluconic acidME270868-C00345--
Acetyl-CoAAcetyl-CoAME270869-C00024--
Adenylsuccinic acidAdenylsuccinic acidME270870-C03794--
ADPADPME270871-C00008--
ADP-riboseADP-riboseME270872-C00301--
AMPAMPME270873-C00020--
ATPATPME270874-C00002--
Cis-Aconitic acidcis-Aconitic acidME270875-C00417--
Citric acidCitric acidME270876-C00158--
Coenzyme ACoenzyme AME270877-C00010--
Dihydroxyacetone phosphateDihydroxyacetone phosphateME270878-C00111--
Fructose-1,6-biphosphateFructose 1,6-bisphosphateME270879-C00354--
Fructose-1-phosphateFructose 1-phosphateME270880-C01094,C02976--
Fructose-6-phosphateFructose 6-phosphateME270881-C05345,C00085--
Fumaric acidFumaric acidME270882-C00122--
Galactose-1-phosphateGalactose 1-phosphateME270883-C00446--
GDPGDPME270884-C00035--
Glucose-1-phosphateGlucose 1-phosphateME270885-C00103--
Glucose-6-phosphateGlucose 6-phosphateME270886-C00668,C01172,C00092--
Glyceraldehyde-3-phosphateGlyceraldehyde 3-phosphateME270887-C00118,C00661--
Glycerol 3-phosphatesn-Glycero-3-phosphateME270888-C00093--
GMPGMPME270889-C00144--
GTPGTPME270890-C00044--
IMPIMPME270891-C00130--
Lactic acidLactic acidME270892-C00186,C00256,C01432--
Malic acidMalic acidME270893-C00149,C00497,C00711--
N-acetylglutamic acidN-Acetylglutamic acidME270894-C00624--
NAD+NADME270895-C00003--
NADHNADHME270896-C00004--
NADP+NADPME270897-C00006--
NADPHNADPHME270898-C00005--
N-carbamoylaspartic acidN-Carbamoylaspartic acidME270899-C00438--
PhosphocreatinePhosphocreatineME270900-C02305--
Phosphoenolpyruvic acidPhosphoenolpyruvic acidME270901-C00074--
Phosphoribosyl pyrophosphatePhosphoribosyl pyrophosphateME270902-C00119--
Pyruvic acidPyruvic acidME270903-C00022--
Ribose-1-phosphateRibose 1-phosphateME270904-C00620--
Ribose-5-phosphateRibose 5-phosphateME270905-C00117--
Ribulose-5-phosphateRibulose 5-phosphateME270906-C00199,C01101--
Sedoheptulose 7-phosphateSedoheptulose 7-phosphateME270907-C05382--
Succinic acidSuccinic acidME270908-C00042--
UDP-glucoseUDP-glucoseME270909-C00029--
Uric acidUric acidME270910-C00366--
XanthineXanthineME270911-C00385--
XMPXMPME270912-C00655--
Xylulose-5-phosphateXylulose 5-phosphateME270913-C00231,C03291--


Analysis: CE UNSPECIFIED ION MODE/Triple quadrupole

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
AdenineAdenineME270914-C00147--
AdenosineAdenosineME270915-C00212--
AlanineAlanineME270916-C00041,C00133,C01401--
ArginineArginineME270917-C00062,C00792--
Argininosuccinic acidArgininosuccinic acidME270918-C03406--
AsparagineAsparagineME270919-C00152,C01905,C16438--
Aspartic acidAspartic acidME270920-C00049,C00402,C16433--
Beta-Alaninebeta-AlanineME270921-C00099--
BetaineBetaineME270922-C00719--
Betaine aldehydeBetaine aldehydeME270923-C00576--
CarnitineCarnitineME270924-C00318,C00487,C15025--
CholineCholineME270925-C00114--
cis-3-hydroxyprolinecis-3-HydroxyprolineME270926-C01015,C01157--
CitrullineCitrullineME270927-C00327--
CreatineCreatineME270928-C00300--
CreatinineCreatinineME270929-C00791--
CystathionineCystathionineME270930-C00542,C02291--
CysteineCysteineME270931-C00097,C00736,C00793--
DimethylglycineDimethylglycineME270932-C01026--
Gamma-Aminobutyric acidgamma-Aminobutyric acidME270933-C00334--
Glutamic acidGlutamic acidME270934-C00025,C00217,C00302--
GlutamineGlutamineME270935-C00064,C00303,C00819--
GlutathioneGlutathioneME270936-C00051--
GlycineGlycineME270937-C00037--
GuanineGuanineME270938-C00242--
GuanosineGuanosineME270939-C00387--
HistidineHistidineME270940-C00135,C00768,C06419--
HypoxanthineHypoxanthineME270941-C00262--
InosineInosineME270942-C00294--
IsoleucineIsoleucineME270943-C00407,C06418,C16434--
LeucineLeucineME270944-C00123,C01570,C16439--
LysineLysineME270945-C00047,C00739,C16440--
MethionineMethionineME270946-C00073,C00855,C01733--
OrnithineOrnithineME270947-C00077,C00515,C01602--
Oxidized glutathioneOxidized glutathioneME270948-C00127--
PhenylalaninePhenylalanineME270949-C00079,C02057,C02265--
PutrescinePutrescineME270950-C00134--
S-AdenosylhomocysteineS-AdenosylhomocysteineME270951-C00021--
S-AdenosylmethionineS-AdenosylmethionineME270952-C00019--
SarcosineSarcosineME270953-C00213--
SerineSerineME270954-C00065,C00716,C00740--
SpermidineSpermidineME270955-C00315--
SpermineSpermineME270956-C00750--
ThreonineThreonineME270957-C00188,C00820--
TryptophanTryptophanME270958-C00078,C00525,C00806--
TyrosineTyrosineME270959-C00082,C01536,C06420--
UreaUreaME270960-C00086--
ValineValineME270961-C00183,C06417,C16436--


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