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Return to study ST002584 main page
Analysis: CE POSITIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
Pyruvic acid
Pyruvic acid
ME620930
-
-
-
-
Isobutyric acid / Butyric acid
-
ME620931
-
-
-
-
Lactic acid
Lactic acid
ME620932
-
-
-
-
Isovaleric acid / Valeric acid
-
ME620933
-
-
-
-
3-Hydroxybutyric acid
3-Hydroxybutyric acid
ME620934
-
-
-
-
Glyceric acid
Glyceric acid
ME620935
-
-
-
-
Fumaric acid
Fumaric acid
ME620936
-
-
-
-
2-Oxoisovaleric acid
Ketoisovaleric acid
ME620937
-
-
-
-
Hexanoic acid
Caproic acid
ME620938
-
-
-
-
N-Acetylglycine
N-Acetylglycine
ME620939
-
-
-
-
Succinic acid
Succinic acid
ME620940
-
-
-
-
2-Hydroxyvaleric acid
2-Hydroxyvaleric acid
ME620941
-
-
-
-
Isethionic acid
2-Hydroxyethanesulfonate
ME620942
-
-
-
-
5-Oxoproline
Pyroglutamic acid
ME620943
-
-
-
-
Citraconic acid
Citraconic acid
ME620944
-
-
-
-
4-Methyl-2-oxovaleric acid / 3-Methyl-2-oxovaleric...
-
ME620945
-
-
-
-
Heptanoic acid
Heptylic acid
ME620946
-
-
-
-
N-Acetyl-β-alanine
N-Acetylbetaalanine
ME620947
-
-
-
-
Glutaric acid
Glutaric acid
ME620948
-
-
-
-
Malic acid
Malic acid
ME620949
-
-
-
-
Threonic acid
Threonic acid
ME620950
-
-
-
-
Ethanolamine phosphate
Phosphoethanolamine
ME620951
-
-
-
-
Octanoic acid
Caprylic acid
ME620952
-
-
-
-
4-Acetamidobutanoic acid
4-Acetamidobutanoic acid
ME620953
-
-
-
-
2-Oxoglutaric acid
2-Oxoglutaric acid
ME620954
-
-
-
-
2-Hydroxyglutaric acid
2-Hydroxyglutaric acid
ME620955
-
-
-
-
Tartaric acid
Tartaric acid
ME620956
-
-
-
-
Cysteinesulfinic acid
3-Sulfino-alanine
ME620957
-
-
-
-
Dihydroorotic acid
Dihydroorotic acid
ME620958
-
-
-
-
Pelargonic acid
Pelargonic acid
ME620959
-
-
-
-
3-Hydroxy-3-methylglutaric acid
3-Hydroxymethylglutaric acid
ME620960
-
-
-
-
Terephthalic acid
Terephthalic acid
ME620961
-
-
-
-
Phthalic acid
Phthalic acid
ME620962
-
-
-
-
Phosphoenolpyruvic acid
Phosphoenolpyruvic acid
ME620963
-
-
-
-
Uric acid
Uric acid
ME620964
-
-
-
-
Cysteic acid
Cysteic acid
ME620965
-
-
-
-
Dihydroxyacetone phosphate
Dihydroxyacetone phosphate
ME620966
-
-
-
-
Glyceraldehyde 3-phosphate
Glyceraldehyde 3-phosphate
ME620967
-
-
-
-
Glycerol 2-phosphate
sn-Glycero-2-phosphate
ME620968
-
-
-
-
Glycerol 3-phosphate
sn-Glycero-3-phosphate
ME620969
-
-
-
-
Decanoic acid
Capric acid
ME620970
-
-
-
-
Isovalerylalanine / N-Acetylleucine
-
ME620971
-
-
-
-
cis-Aconitic acid
cis-Aconitic acid
ME620972
-
-
-
-
N-Acetylasparagine
N-Acetylasparagine
ME620973
-
-
-
-
N-Acetylaspartic acid
N-Acetylaspartic acid
ME620974
-
-
-
-
N-Carbamoylaspartic acid
N-Carbamoylaspartic acid
ME620975
-
-
-
-
Hippuric acid
Hippuric acid
ME620976
-
-
-
-
O-Phosphoserine
DL-O-Phosphoserine
ME620977
-
-
-
-
2-Phosphoglyceric acid
2-Phosphoglyceric acid
ME620978
-
-
-
-
3-Phosphoglyceric acid
3-Phosphoglyceric acid
ME620979
-
-
-
-
Undecanoic acid
Undecylic acid
ME620980
-
-
-
-
N-Acetylglutamine
N-Acetylglutamine
ME620981
-
-
-
-
Azelaic acid
Azelaic acid
ME620982
-
-
-
-
10-Hydroxydecanoic acid
10-Hydroxydecanoic acid
ME620983
-
-
-
-
N-Acetylglutamic acid
N-Acetylglutamic acid
ME620984
-
-
-
-
Citric acid
Citric acid
ME620985
-
-
-
-
Isocitric acid
Isocitric acid
ME620986
-
-
-
-
Quinic acid
Quinic acid
ME620987
-
-
-
-
Glucuronic acid/ Galacturonic acid
-
ME620988
-
-
-
-
Gluconic acid
Gluconic acid
ME620989
-
-
-
-
Lauric acid
Lauric acid
ME620990
-
-
-
-
N2-Acetylaminoadipic acid
N-Acetyl-2-aminoadipic acid
ME620991
-
-
-
-
Glucaric acid
Glucaric acid
ME620992
-
-
-
-
Phosphocreatine
Phosphocreatine
ME620993
-
-
-
-
O-Succinylhomoserine
o-Succinylhomoserine
ME620994
-
-
-
-
Pantothenic acid
Pantothenic acid
ME620995
-
-
-
-
Myristoleic acid
Myristoleic acid
ME620996
-
-
-
-
Xylulose 5-phosphate
Xylulose 5-phosphate
ME620997
-
-
-
-
Ribose 5-phosphate
Ribose 5-phosphate
ME620998
-
-
-
-
Ribulose 5-phosphate
Ribulose 5-phosphate
ME620999
-
-
-
-
2-Deoxyglucose 6-phosphate
2-Deoxy-D-glucose 6-phosphate
ME621000
-
-
-
-
Ascorbate 2-phosphate
-
ME621001
-
-
-
-
myo-Inositol 1-phosphate / myo-Inositol 3-phosphat...
-
ME621002
-
-
-
-
Glucose 6-phosphate
Glucose 6-phosphate
ME621003
-
-
-
-
Fructose 6-phosphate
Fructose 6-phosphate
ME621004
-
-
-
-
Glucose 1-phosphate
Glucose 1-phosphate
ME621005
-
-
-
-
myo-Inositol 2-phosphate
myo-Inositol 2-phosphate
ME621006
-
-
-
-
Sulfotyrosine
Sulfotyrosine
ME621007
-
-
-
-
2,3-Diphosphoglyceric acid
2,3-Diphosphoglyceric acid
ME621008
-
-
-
-
6-Phosphogluconic acid
6-Phosphogluconic acid
ME621009
-
-
-
-
Rhein
Rhein
ME621010
-
-
-
-
Sedoheptulose 7-phosphate
Sedoheptulose 7-phosphate
ME621011
-
-
-
-
N-Acetylglucosamine 1-phosphate
N-Acetylglucosamine 1-phosphate
ME621012
-
-
-
-
N-Acetylglucosamine 6-phosphate
N-Acetyl-glucosamine 6-phosphate
ME621013
-
-
-
-
cCMP / 2',3'-cCMP
-
ME621014
-
-
-
-
dUMP
dUMP
ME621015
-
-
-
-
N-Acetylneuraminic acid
N-Acetylneuraminic acid
ME621016
-
-
-
-
Ribulose 1,5-diphosphate
Ribulose 1,5-bisphosphate
ME621017
-
-
-
-
dTMP
dTMP
ME621018
-
-
-
-
3'-CMP / 2'-CMP
-
ME621019
-
-
-
-
CMP
CMP
ME621020
-
-
-
-
UMP
UMP
ME621021
-
-
-
-
N-Glycolylneuraminic acid
N-Glycolylneuraminic acid
ME621022
-
-
-
-
cAMP
3',5' cyclic AMP
ME621023
-
-
-
-
Phytic acid_divalent
Myo-inositol hexakisphosphate
ME621024
-
-
-
-
dAMP
dAMP
ME621025
-
-
-
-
5-Aminoimidazole-4-carboxamide ribotide
AICAR
ME621026
-
-
-
-
Fructose 1,6-diphosphate
Fructose 1,6-bisphosphate
ME621027
-
-
-
-
AMP
AMP
ME621028
-
-
-
-
IMP
IMP
ME621029
-
-
-
-
GMP
GMP
ME621030
-
-
-
-
XMP
XMP
ME621031
-
-
-
-
NADPH_divalent
NADPH
ME621032
-
-
-
-
CoA_divalent
Coenzyme A
ME621033
-
-
-
-
dCDP
dCDP
ME621034
-
-
-
-
PRPP
Phosphoribosyl pyrophosphate
ME621035
-
-
-
-
FAD_divalent
FAD
ME621036
-
-
-
-
dTDP
dTDP
ME621037
-
-
-
-
CDP
CDP
ME621038
-
-
-
-
UDP
UDP
ME621039
-
-
-
-
dADP
dADP
ME621040
-
-
-
-
P1, P4-Di(adenosine-5') tetraphosphate_divalent
-
ME621041
-
-
-
-
Thiamine diphosphate
Thiamine diphosphate
ME621042
-
-
-
-
3-Methylcrotonyl CoA_divalent
3-Methylbut-2-enoyl-CoA
ME621043
-
-
-
-
Malonyl CoA_divalent
Malonyl-CoA
ME621044
-
-
-
-
Adenosine 5'-phosphosulfate
Adenosine phosphosulfate
ME621045
-
-
-
-
ADP
ADP
ME621046
-
-
-
-
3',5'-ADP
Adenosine 3',5'-diphosphate
ME621047
-
-
-
-
Succinyl CoA_divalent / Methylmalonyl CoA_divalent
Succinyl-CoA
ME621048
-
-
-
-
GDP
GDP
ME621049
-
-
-
-
HMG CoA_divalent
3-Hydroxy-3-methylglutaryl-CoA
ME621050
-
-
-
-
FMN
FMN
ME621051
-
-
-
-
Adenylosuccinic acid
Adenylsuccinic acid
ME621052
-
-
-
-
dCTP
dCTP
ME621053
-
-
-
-
dTTP
dTTP
ME621054
-
-
-
-
CTP
CTP
ME621055
-
-
-
-
UTP
UTP
ME621056
-
-
-
-
CDP-choline
CDP-choline
ME621057
-
-
-
-
dATP
dATP
ME621058
-
-
-
-
ATP
ATP
ME621059
-
-
-
-
GTP
GTP
ME621060
-
-
-
-
ADP-ribose
ADP-ribose
ME621061
-
-
-
-
dTDP-glucose
dTDP-glucose
ME621062
-
-
-
-
UDP-glucose / UDP-galactose
-
ME621063
-
-
-
-
UDP-glucuronic acid
UDP-glucuronic acid
ME621064
-
-
-
-
ADP-glucose / GDP-fucose
-
ME621065
-
-
-
-
GDP-glucose/GDP-mannose/GDP-galactose
-
ME621066
-
-
-
-
UDP-N-acetylgalactosamine / UDP-N-acetylglucosamin...
-
ME621067
-
-
-
-
CMP-N-acetylneuraminate
CMP-N-acetylneuraminic acid
ME621068
-
-
-
-
NAD+
NAD
ME621069
-
-
-
-
Deamido-NAD+
Nicotinic acid adenine dinucleotide
ME621070
-
-
-
-
NADH
NADH
ME621071
-
-
-
-
3'-Dephospho CoA
3'-Dephospho-CoA
ME621072
-
-
-
-
NADP+
NADP
ME621073
-
-
-
-
Analysis: CE NEGATIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
Urea
Urea
ME621074
-
-
-
-
Ethanolamine
Ethanolamine
ME621075
-
-
-
-
Aminoacetone
Aminoacetone
ME621076
-
-
-
-
Gly
Glycine
ME621077
-
-
-
-
Trimethylamine N-oxide
Trimethylamine N-oxide
ME621078
-
-
-
-
Putrescine
Putrescine
ME621079
-
-
-
-
β-Ala
beta-Alanine
ME621080
-
-
-
-
Ala
Alanine
ME621081
-
-
-
-
Glycerol
Glycerol
ME621082
-
-
-
-
1-Aminocyclopropane-1-carboxylic acid / Homoserine...
-
ME621083
-
-
-
-
3-Aminoisobutyric acid
3-Aminoisobutanoic acid
ME621084
-
-
-
-
2-Aminoisobutyric acid / 2-Aminobutyric acid
-
ME621085
-
-
-
-
GABA
gamma-Aminobutyric acid
ME621086
-
-
-
-
Choline
Choline
ME621087
-
-
-
-
Ser
Serine
ME621088
-
-
-
-
Diethanolamine
Diethanolamine
ME621089
-
-
-
-
Hypotaurine
Hypotaurine
ME621090
-
-
-
-
1-Pyrroline 5-carboxylic acid
1-Pyrroline-5-carboxylic acid
ME621091
-
-
-
-
Creatinine
Creatinine
ME621092
-
-
-
-
Pro
Proline
ME621093
-
-
-
-
5-Aminovaleric acid
5-Aminopentanoic acid
ME621094
-
-
-
-
Betaine
Betaine
ME621095
-
-
-
-
Val
Valine
ME621096
-
-
-
-
Thr
Threonine
ME621097
-
-
-
-
Homoserine
Homoserine
ME621098
-
-
-
-
Cys
Cysteine
ME621099
-
-
-
-
Nicotinamide
Niacinamide
ME621100
-
-
-
-
Taurine
Taurine
ME621101
-
-
-
-
Imidazole-4-acetic acid
Imidazoleacetic acid
ME621102
-
-
-
-
1-Aminocyclopentanecarboxylic acid
1-Azaniumylcyclopentane-1-carboxylate
ME621103
-
-
-
-
Pipecolic acid
Pipecolic acid
ME621104
-
-
-
-
trans-Glutaconic acid
Glutaconic acid
ME621105
-
-
-
-
N-Acetylputrescine
N-Acetylputrescine
ME621106
-
-
-
-
Hydroxyproline
Hydroxyproline
ME621107
-
-
-
-
cis-4-Hydroxyproline
cis-4-Hydroxyproline
ME621108
-
-
-
-
Creatine
Creatine
ME621109
-
-
-
-
Ile
Isoleucine
ME621110
-
-
-
-
Leu
Leucine
ME621111
-
-
-
-
Asn
Asparagine
ME621112
-
-
-
-
Gly-Gly
Gly-Gly
ME621113
-
-
-
-
Ornithine
Ornithine
ME621114
-
-
-
-
Thiaproline
-
ME621115
-
-
-
-
Asp
Aspartic acid
ME621116
-
-
-
-
Adenine
Adenine
ME621117
-
-
-
-
1-Methylnicotinamide
1-Methyl nicotinamide
ME621118
-
-
-
-
Urocanic acid
Urocanic acid
ME621119
-
-
-
-
1-Methyl-4-imidazoleacetic acid
Methylimidazoleacetic acid
ME621120
-
-
-
-
1H-Imidazole-4-propionic acid
-
ME621121
-
-
-
-
γ-Butyrobetaine
3-Dehydroxycarnitine
ME621122
-
-
-
-
Spermidine
Spermidine
ME621123
-
-
-
-
Lys
Lysine
ME621124
-
-
-
-
N-Acetylserine
N-Acetylserine
ME621125
-
-
-
-
Gln
Glutamine
ME621126
-
-
-
-
Glu
Glutamic acid
ME621127
-
-
-
-
Met
Methionine
ME621128
-
-
-
-
Octopamine / Dopamine
-
ME621129
-
-
-
-
His
Histidine
ME621130
-
-
-
-
O-Acetylhomoserine / 2-Aminoadipic acid
-
ME621131
-
-
-
-
Carnitine
Carnitine
ME621132
-
-
-
-
5-Hydroxylysine
5-Hydroxylysine
ME621133
-
-
-
-
Methionine sulfoxide
Methionine sulfoxide
ME621134
-
-
-
-
Phe
Phenylalanine
ME621135
-
-
-
-
Pyridoxal
Pyridoxal
ME621136
-
-
-
-
Pyridoxine
Pyridoxine
ME621137
-
-
-
-
1-Methylhistidine / 3-Methylhistidine
-
ME621138
-
-
-
-
N5-Ethylglutamine
N(5)-Ethyl-glutamine
ME621139
-
-
-
-
Arg
Arginine
ME621140
-
-
-
-
Diethylaminomalonic acid
Diethyl aminomalonate
ME621141
-
-
-
-
Citrulline
Citrulline
ME621142
-
-
-
-
Cys-Gly
Cys-Gly
ME621143
-
-
-
-
Gluconolactone
Gluconolactone
ME621144
-
-
-
-
Galactosamine / Glucosamine
-
ME621145
-
-
-
-
N-Methylnorsalsolinol
N-Methyl-norsalsolinol
ME621146
-
-
-
-
Tyr
Tyrosine
ME621147
-
-
-
-
Phosphorylcholine
Choline phosphate
ME621148
-
-
-
-
N8-Acetylspermidine
N8-Acetylspermidine
ME621149
-
-
-
-
Gly-Leu
Gly-Leu
ME621150
-
-
-
-
N-Acetyllysine
N(2)-Acetyllysine
ME621151
-
-
-
-
N6-Acetyllysine
N6-Acetyllysine
ME621152
-
-
-
-
Homocitrulline
Homocitrulline
ME621153
-
-
-
-
Gly-Asp
Gly-Asp
ME621154
-
-
-
-
Tyrosine methyl ester
Methyl tyrosinate
ME621155
-
-
-
-
DOPA
DOPA
ME621156
-
-
-
-
SDMA
Symmetric dimethylarginine
ME621157
-
-
-
-
ADMA
Dimethylarginine
ME621158
-
-
-
-
Spermine
Spermine
ME621159
-
-
-
-
O-Acetylcarnitine
CAR 2:0
ME621160
-
-
-
-
Trp
Tryptophan
ME621161
-
-
-
-
Carboxymethyllysine
N(6)-Carboxymethyl-lysine
ME621162
-
-
-
-
Kynurenine
Kynurenine
ME621163
-
-
-
-
β-Ala-Lys
Ala-Lys
ME621164
-
-
-
-
N-Acetylgalactosamine/N-Acetylmannosamine/N-Acetyl...
-
ME621165
-
-
-
-
Cystathionine
Cystathionine
ME621166
-
-
-
-
Carnosine
Carnosine
ME621167
-
-
-
-
2'-Deoxycytidine
Deoxycytidine
ME621168
-
-
-
-
Butyrylcarnitine
CAR 4:0
ME621169
-
-
-
-
Thr-Asp
Thr-Asp
ME621170
-
-
-
-
Ser-Glu
Ser-Glu
ME621171
-
-
-
-
7,8-Dihydrobiopterin
7,8-Dihydrobiopterin
ME621172
-
-
-
-
Ribavirin
-
ME621173
-
-
-
-
Isovalerylcarnitine
CAR 4:0;3Me
ME621174
-
-
-
-
γ-Glu-Cys
gamma-Glutamylcysteine
ME621175
-
-
-
-
Glycerophosphocholine
sn-Glycero-3-phosphocholine
ME621176
-
-
-
-
Thiamine
Thiamine
ME621177
-
-
-
-
Adenosine
Adenosine
ME621178
-
-
-
-
Inosine
Inosine
ME621179
-
-
-
-
Saccharopine
Saccharopine
ME621180
-
-
-
-
1-Methyladenosine
1-Methyladenosine
ME621181
-
-
-
-
Guanosine
Guanosine
ME621182
-
-
-
-
His-Glu
His-Glu
ME621183
-
-
-
-
Ophthalmic acid
Ophthalmic acid
ME621184
-
-
-
-
Argininosuccinic acid
Argininosuccinic acid
ME621185
-
-
-
-
5'-Deoxy-5'-methylthioadenosine
5'-Methylthioadenosine
ME621186
-
-
-
-
Arg-Glu
Arg-Glu
ME621187
-
-
-
-
Glutathione (GSSG)_divalent
Oxidized glutathione
ME621188
-
-
-
-
Glutathione (GSH)
Glutathione
ME621189
-
-
-
-
S-Methylglutathione
S-Methylglutathione
ME621190
-
-
-
-
S-Nitrosoglutathione
S-Nitrosoglutathione
ME621191
-
-
-
-
Thiamine phosphate
TMP
ME621192
-
-
-
-
Gibberellic acid
Gibberellin A3
ME621193
-
-
-
-
S-Lactoylglutathione
S-Lactoylglutathione
ME621194
-
-
-
-
S-Adenosylhomocysteine
S-Adenosylhomocysteine
ME621195
-
-
-
-
S-Adenosylmethionine
S-Adenosylmethionine
ME621196
-
-
-
-
Cysteine glutathione disulfide
S-Glutathionyl-cysteine
ME621197
-
-
-
-
Folic acid
Folic acid
ME621198
-
-
-
-
UCSD Metabolomics Workbench, a resource sponsored by the Common Fund of the National Institutes of Health
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