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Analysis: CE-TOF MS

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
NAD+NAD+ME133263-C00003--
NADP+NADP+ME133273-C00006--
ADPADPME133260-C00008--
CoA_divalentCoenzyme AME133195-C00010--
UDPUDPME133217-C00015--
FAD_divalentFADME133266-C00016--
S-AdenosylmethionineS-AdenosylmethionineME133317-C00019--
AMPAMPME133243-C00020--
Acetyl CoA_divalentAcetyl-CoAME133264-C00024--
Glutamic acidGlutamic acidME133323-C00025,C00217,C00302--
GDPGDPME133226-C00035--
GlycineGlycineME133330-C00037--
AlanineAlanineME133339-C00041,C00133,C01401--
Succinic acidSuccinic acidME133231-C00042--
LysineLysineME133240-C00047,C00739,C16440--
Aspartic acidAspartic acidME133312-C00049,C00402,C16433--
CMPCMPME133228-C00055--
ArginineArginineME133284-C00062,C00792--
GlutamineGlutamineME133245-C00064,C00303,C00819--
SerineSerineME133338-C00065,C00716,C00740--
MethionineMethionineME133336-C00073,C00855,C01733--
Phosphoenolpyruvic acidPhosphoenolpyruvic acidME133238-C00074--
OrnithineOrnithineME133296-C00077,C00515,C01602--
TryptophanTryptophanME133337-C00078,C00525,C00806--
PhenylalaninePhenylalanineME133322-C00079,C02057,C02265--
TyrosineTyrosineME133333-C00082,C01536,C06420--
Fructose 6-phosphateFructose 6-phosphateME133211-C00085--
UreaUreaME133288-C00086--
Glycerol 3-phosphatesn-Glycero-3-phosphateME133262-C00093--
GDP-mannose/GDP-galactose-ME133205-C00096/C02280--
β-Alaninebeta-AlanineME133341-C00099--
Glucose 1-phosphateGlucose 1-phosphateME133212-C00103--
UMPUMPME133313-C00105--
CholineCholineME133345-C00114--
Ribose-5-phosphateRibose 5-phosphateME133304-C00117--
BiotinBiotinME133193-C00120--
Fumaric acidFumaric acidME133346-C00122--
LeucineLeucineME133319-C00123,C01570,C16439--
IMPIMPME133308-C00130--
HistidineHistidineME133305-C00135,C00768,C06419--
GMPGMPME133315-C00144--
AdenineAdenineME133290-C00147--
ProlineProlineME133295-C00148,C00763,C16435--
Malic acidMalic acidME133272-C00149,C00497,C00711--
AsparagineAsparagineME133321-C00152,C01905,C16438--
NiacinamideNiacinamideME133302-C00153--
Glycolic acidGlycolic acidME133242-C00160--
Propionic acidPropionic acidME133281-C00163--
UDP-glucuronic acidUDP-glucuronic acidME133334-C00167--
5'-Methylthioadenosine5'-MethylthioadenosineME133326-C00170--
AgmatineAgmatineME133351-C00179--
Benzoic acidBenzoic acidME133239-C00180--
ValineValineME133327-C00183,C06417,C16436--
Lactic acidLactic acidME133275-C00186,C00256,C01432--
ThreonineThreonineME133244-C00188,C00820--
3-Phosphoglyceric acid3-Phosphoglyceric acidME133209-C00197--
Ribulose-5-phosphateRibulose 5-phosphateME133286-C00199,C01101--
AdenosineAdenosineME133342-C00212--
Ketoleucine/3-Methyl-2-oxovaleric acidKetoleucineME133251-C00233/C00671,C03465--
dCMPdCMPME133203-C00239--
GuanineGuanineME133223-C00242--
Butyric acidButyric acidME133291-C00246--
PyridoxalPyridoxalME133329-C00250--
RiboflavinRiboflavinME133261-C00255--
Gluconic acidGluconic acidME133299-C00257--
Glyceric acidGlyceric acidME133280-C00258--
HypoxanthineHypoxanthineME133353-C00262--
InosineInosineME133332-C00294--
Quinic acidQuinic acidME133246-C00296--
CreatineCreatineME133352-C00300--
ADP-riboseADP-riboseME133314-C00301--
PyridoxinePyridoxineME133307-C00314--
SpermidineSpermidineME133325-C00315--
CitrullineCitrullineME133306-C00327--
DeoxyguanosineDeoxyguanosineME133202-C00330--
Gamma-Aminobutyric acidgamma-Aminobutyric acidME133349-C00334--
Fructose 1,6-diphosphateFructose 1,6-bisphosphateME133194-C00354--
N-Acetyl-Glucosamine 6-PhosphateN-Acetyl-glucosamine 6-phosphateME133224-C00357--
dAMPdAMPME133204-C00360--
dTDPdTDPME133233-C00363--
dTMPdTMPME133210-C00364--
ThiamineThiamineME133253-C00378--
CytosineCytosineME133234-C00380--
Malonic acidMalonic acidME133215-C00383--
GuanosineGuanosineME133225-C00387--
IsoleucineIsoleucineME133328-C00407,C06418,C16434--
N-AcetylornithineN-AcetylornithineME133311-C00437--
TyramineTyramineME133197-C00483--
Glutaric acidGlutaric acidME133207-C00489--
ADP-glucose/GDP-fucose-ME133247-C00498/C00325--
PyridoxaminePyridoxamineME133278-C00534--
Deoxyadenosine/5'-DeoxyadenosineDeoxyadenosineME133201-C00559/C05198--
p-Aminobenzoic acidp-Aminobenzoic acidME133196-C00568--
CyclohexylamineCyclohexylamineME133220-C00571--
PGE2PGE2ME133259-C00584--
Isobutyryl CoA_divalentIsobutyryl-CoAME133324-C00630--
2-Phosphoglyceric acid2-Phosphoglyceric acidME133227-C00631--
Pyridoxamine 5'-phosphatePyridoxamine 5'-phosphateME133298-C00647--
XMPXMPME133347-C00655--
2,6-diaminopimelic acid2,6-Diaminopimelic acidME133285-C00666--
Glucose 6-phosphateGlucose 6-phosphateME133208-C00668,C01172,C00092--
sn-glycero-3-phosphocholinesn-Glycero-3-phosphocholineME133355-C00670--
Urocanic acidUrocanic acidME133331-C00785--
CreatinineCreatinineME133350-C00791--
Pantothenic acidPantothenic acidME133343-C00864--
Ala-AlaAla-AlaME133271-C00993--
PhosphoserinePhosphoserineME133236-C01005--
Hydroxypropionic acidHydroxypropionic acidME133232-C01013--
N8-AcetylspermidineN8-AcetylspermidineME133340-C01029--
Thiamine phosphateTMPME133265-C01081--
beta-hydroxybutyric acid3-Hydroxybutyric acidME133230-C01089,C03197--
ppGpp_divalent-ME133289-C01228--
1-Aminocyclopropanecarboxylic acid1-Aminocyclopropanecarboxylic acidME133348-C01234--
Maleic acidMaleic acidME133187-C01384--
Glu-GluGlu-GluME133309-C01425--
trans-Ferlic acidtrans-Ferulic acidME133257-C01494--
Capric acidCapric acidME133269-C01571--
Caproic acidCaproic acidME133279-C01585--
Pelargonic acidPelargonic acidME133270-C01601--
Phthalic acidPhthalic acidME133344-C01606--
XanthosineXanthosineME133335-C01762--
5-OxoprolinePyroglutamic acidME133283-C01879--
Gly-GlyGly-GlyME133292-C02037--
5-Oxohexanoic acid5-Ketocaproic acidME133216-C02129--
Gly-LeuGly-LeuME133287-C02155--
Citraconic acidCitraconic acidME133229-C02226--
2-Isopropylmalic acid2-Isopropylmalic acidME133192-C02504--
Citramalic acidCitramalic acidME133206-C02612,C02614--
Pimelic acidPimelic acidME133189-C02656--
Lauric acidLauric acidME133267-C02679--
Methyl sulfateMethyl sulfateME133320-C02704--
N6-acetyllysineN6-AcetyllysineME133199-C02727--
Methionine sulfoxideMethionine sulfoxideME133318-C02989--
2-(Methylamino)benzoic acid2-(Methylamino)benzoic acidME133198-C03005--
2-Carboxybenzaldehyde-ME133249-C03057--
Leucinic acidLeucinic acidME133219-C03264--
Mannosamine2-Amino-2-deoxy-D-mannoseME133252-C03570--
3-Hydroxymethylglutaric acid3-Hydroxymethylglutaric acidME133190-C03761--
N-6-trimethyllysineN-6-TrimethyllysineME133200-C03793--
β-Ala-Lys-ME133248-C05341--
Sedoheptulose 7-phosphateSedoheptulose 7-phosphateME133214-C05382--
Hydrocinnamic acidHydrocinnamic acidME133255-C05629--
Methylimidazoleacetic acidMethylimidazoleacetic acidME133354-C05828--
Adipic acidAdipic acidME133213-C06104--
Caprylic acidCaprylic acidME133274-C06423--
Vanillic acidVanillic acidME133191-C06672--
TriethanolamineTriethanolamineME133294-C06771--
DiethanolamineDiethanolamineME133277-C06772--
3-Acetylacrylic acid-ME133186-C07091--
m-Toluic acid-ME133235-C07211--
Azelaic acidAzelaic acidME133268-C08261--
Isovaleric acidIsovaleric acidME133293-C08262--
Sebacic acidSebacic acidME133222-C08277--
Suberic acidSuberic acidME133218-C08278--
Tiglic acidTiglic acidME133254-C08279--
Cyclohexanecarboxylic acidCyclohexanecarboxylic acidME133250-C09822--
5-hydroxylysine5-HydroxylysineME133300-C16741--
2-Hydroxyisobutyric acid2-Hydroxyisobutyric acidME133221----
5-Oxo-2-tetrahydrofurancarboxylic acid-ME133188----
CarboxymethyllysineN(6)-Carboxymethyl-lysineME133303----
DL-2-hydroxy valeric acid2-Hydroxyvaleric acidME133256----
Gly-AspGly-AspME133297----
Heptylic acidHeptylic acidME133276----
His-GluHis-GluME133237----
HomoserinelactoneHomoserine lactoneME133301----
Levulinic acidLevulinic acidME133241----
Ser-GluSer-GluME133316----
Thr-AspThr-AspME133310----
Tyr-GluTyr-GluME133282----
Undecylic acidUndecylic acidME133258----


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