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Return to study ST002531 main page
Analysis: HILIC UNSPECIFIED ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
2-aminobutyrate
2-Aminobutyric acid
ME614193
-
-
-
-
2-aminobutyrate-13C
2-Aminobutyric acid
ME614194
-
-
-
-
a-aminobutyrate
2-Aminobutyric acid
ME613952
-
-
-
-
a-aminobutyrate-13C4
2-Aminobutyric acid
ME613953
-
-
-
-
2-hydroxybutyrate
2-Hydroxybutyric acid
ME613938
-
-
-
-
2-hydroxybutyrate-13C4
2-Hydroxybutyric acid
ME613939
-
-
-
-
AHB
2-Hydroxybutyric acid
ME614171
-
-
-
-
AHB-13C4
2-Hydroxybutyric acid
ME614170
-
-
-
-
2-hydroxyglutarate
2-Hydroxyglutaric acid
ME614150
-
-
-
-
2-hydroxyglutarate-13C5
2-Hydroxyglutaric acid
ME614148
-
-
-
-
akg
2-Oxoglutaric acid
ME614107
-
-
-
-
akg-13C
2-Oxoglutaric acid
ME614104
-
-
-
-
Oxoglutarate
2-Oxoglutaric acid
ME614105
-
-
-
-
oxoglutarate-13C5
2-Oxoglutaric acid
ME614103
-
-
-
-
L-Alpha-aminobutyric-acid-13C4
2S-Aminobutyric acid
ME614191
-
-
-
-
3-hydroxybutyrate
3-Hydroxybutyric acid
ME613988
-
-
-
-
3-hydroxybutyrate-13C4
3-Hydroxybutyric acid
ME613989
-
-
-
-
3-hydroxyisobutyric-acid
3-Hydroxyisobutyric acid
ME614131
-
-
-
-
3-hydroxyisobutyric_acid-13C4
3-Hydroxyisobutyric acid
ME614130
-
-
-
-
3methyl2-oxopentanoic-acid
3-Methyl-2-oxovaleric acid
ME614161
-
-
-
-
3methyl2-oxopentanoic-acid-13C
3-Methyl-2-oxovaleric acid
ME614162
-
-
-
-
AKB
3-Methyl pyruvic acid
ME614167
-
-
-
-
AKB-13C4
3-Methyl pyruvic acid
ME614165
-
-
-
-
3-phosphoglycerate
3-Phosphoglyceric acid
ME614115
-
-
-
-
3-phosphoglycerate-13C3
3-Phosphoglyceric acid
ME614112
-
-
-
-
ADP
ADP
ME614017
-
-
-
-
ADP-13C10
ADP
ME614018
-
-
-
-
alanine
Alanine
ME613916
-
-
-
-
alanine-13C3
Alanine
ME613917
-
-
-
-
allantoin
Allantoin
ME614003
-
-
-
-
allantoin-13C4
Allantoin
ME614004
-
-
-
-
phenylacetylglutamine
alpha-N-Phenylacetylglutamine
ME614040
-
-
-
-
phenylacetylglutamine-13C13
alpha-N-Phenylacetylglutamine
ME614041
-
-
-
-
Aminoadipate
Aminoadipic acid
ME614146
-
-
-
-
aminoadipate-13C6
Aminoadipic acid
ME614147
-
-
-
-
AMP
AMP
ME613963
-
-
-
-
AMP-13C10
AMP
ME613962
-
-
-
-
arginine
Arginine
ME613934
-
-
-
-
arginine-13C6
Arginine
ME613933
-
-
-
-
argininosuccinate
Argininosuccinic acid
ME613982
-
-
-
-
argininosuccinate-13C10
Argininosuccinic acid
ME613981
-
-
-
-
asparagine
Asparagine
ME613922
-
-
-
-
asparagine-13C4
Asparagine
ME614202
-
-
-
-
aspartate
Aspartic acid
ME613929
-
-
-
-
aspartate-13C4
Aspartic acid
ME614209
-
-
-
-
ATP
ATP
ME614065
-
-
-
-
ATP-13C10
ATP
ME614066
-
-
-
-
beta-Alanine
beta-Alanine
ME614144
-
-
-
-
beta-alanine-13C3
beta-Alanine
ME614145
-
-
-
-
betaine
Betaine
ME613942
-
-
-
-
betaine-13C5
Betaine
ME613943
-
-
-
-
biotin
Biotin
ME613940
-
-
-
-
biotin-13C10
Biotin
ME613941
-
-
-
-
acetylcarnitine
CAR 2:0
ME613993
-
-
-
-
acetylcarnitine-13C9
CAR 2:0
ME613992
-
-
-
-
Carbamoylaspartate
Carbamoylaspartate
ME614160
-
-
-
-
carbamoylaspartate-13C5
Carbamoylaspartate
ME614159
-
-
-
-
carnitine
Carnitine
ME613910
-
-
-
-
carnitine-13C7
Carnitine
ME613911
-
-
-
-
carnosine
Carnosine
ME613964
-
-
-
-
carnosine-13C9
Carnosine
ME613965
-
-
-
-
CDP
CDP
ME614028
-
-
-
-
CDP-13C9
CDP
ME614029
-
-
-
-
CDP-choline
CDP-choline
ME614019
-
-
-
-
CDP-choline-13C14
CDP-choline
ME614020
-
-
-
-
choline
Choline
ME613971
-
-
-
-
choline-D9
Choline
ME613972
-
-
-
-
phosphocholine
Choline phosphate
ME614013
-
-
-
-
phosphocholine-13C5
Choline phosphate
ME614014
-
-
-
-
cis-aconitic-acid
cis-Aconitic acid
ME614121
-
-
-
-
cis-aconitic-acid-13C6
cis-Aconitic acid
ME614118
-
-
-
-
citrate
Citric acid
ME614122
-
-
-
-
citrate-13C6
Citric acid
ME614123
-
-
-
-
citrulline
Citrulline
ME613927
-
-
-
-
Citrulline-13C
Citrulline
ME614012
-
-
-
-
citrulline-13C6
Citrulline
ME613928
-
-
-
-
CMP
CMP
ME613979
-
-
-
-
CMP-13C9
CMP
ME613978
-
-
-
-
CoA
Coenzyme A
ME614005
-
-
-
-
CoA-13C21
Coenzyme A
ME614007
-
-
-
-
creatine
Creatine
ME613961
-
-
-
-
creatine-13C4
Creatine
ME613960
-
-
-
-
creatinine
Creatinine
ME613985
-
-
-
-
creatinine-D3
Creatinine
ME614044
-
-
-
-
CTP
CTP
ME614075
-
-
-
-
CTP-13C9
CTP
ME614076
-
-
-
-
cys-gly
Cys-Gly
ME614180
-
-
-
-
cys-gly-13C5
Cys-Gly
ME614179
-
-
-
-
Cystathionine
Cystathionine
ME614155
-
-
-
-
cystathionine-13C7
Cystathionine
ME614156
-
-
-
-
Cysteic-acid
Cysteic acid
ME614154
-
-
-
-
cysteic-acid-13C3
Cysteic acid
ME614153
-
-
-
-
cystine
Cystine
ME613930
-
-
-
-
cystine-13C2
Cystine
ME614106
-
-
-
-
cystine-13C6-15N2
Cystine
ME614021
-
-
-
-
cystine-13C615N2
Cystine
ME614152
-
-
-
-
cytidine
Cytidine
ME613946
-
-
-
-
cytidine-13C9
Cytidine
ME613947
-
-
-
-
dATP
dATP
ME614060
-
-
-
-
dATP-13C10
dATP
ME614061
-
-
-
-
dCTP
dCTP
ME614071
-
-
-
-
dCTP-13C9
dCTP
ME614069
-
-
-
-
deoxycytidine
Deoxycytidine
ME614048
-
-
-
-
deoxycytidine-13C9
Deoxycytidine
ME614047
-
-
-
-
DHAP
Dihydroxyacetone phosphate
ME614102
-
-
-
-
DHAP-13C3
Dihydroxyacetone phosphate
ME614101
-
-
-
-
asymmetric-dimethylarginine
Dimethylarginine
ME614067
-
-
-
-
asymmetric-dimethylarginine٨_1
Dimethylarginine
ME614072
-
-
-
-
dimethylglycine
Dimethylglycine
ME614181
-
-
-
-
dTMP
dTMP
ME613956
-
-
-
-
dTMP-13C10
dTMP
ME613957
-
-
-
-
FAD
FAD
ME614138
-
-
-
-
FAD-13C27
FAD
ME614137
-
-
-
-
folate
Folic acid
ME614070
-
-
-
-
folate-13C19
Folic acid
ME614068
-
-
-
-
Fructose
Fructose
ME613954
-
-
-
-
Fructose-13C6
Fructose
ME613955
-
-
-
-
Fructose-1-6-bisphosphate
Fructose 1,6-bisphosphate
ME614119
-
-
-
-
fructose-1,6-bisphosphate-13C6
Fructose 1,6-bisphosphate
ME614120
-
-
-
-
Fumarate
Fumaric acid
ME614095
-
-
-
-
fumarate-13C4
Fumaric acid
ME614093
-
-
-
-
gaba
gamma-Aminobutyric acid
ME614011
-
-
-
-
gaba-13C4
gamma-Aminobutyric acid
ME614010
-
-
-
-
gamma-glutamyl-alanine
gamma-Glutamylalanine
ME614207
-
-
-
-
gamma-glutamyl-alanine-13C8
gamma-Glutamylalanine
ME614208
-
-
-
-
GDP
GDP
ME614033
-
-
-
-
GDP-13C10
GDP
ME614032
-
-
-
-
Glucose
Glucose
ME613918
-
-
-
-
glucose-13C6
Glucose
ME614006
-
-
-
-
glucose-1-phosphate
Glucose 1-phosphate
ME613980
-
-
-
-
glucose-1-phosphate-13C6
Glucose 1-phosphate
ME613977
-
-
-
-
Glucose-6-phosphate
Glucose 6-phosphate
ME614114
-
-
-
-
glucose-6-phosphate-13C6
Glucose 6-phosphate
ME614113
-
-
-
-
glutamate
Glutamic acid
ME613926
-
-
-
-
glutamate-13C
Glutamic acid
ME614096
-
-
-
-
glutamate-13C5
Glutamic acid
ME613968
-
-
-
-
glutamine
Glutamine
ME613919
-
-
-
-
glutamine-13C5
Glutamine
ME614090
-
-
-
-
gsh
Glutathione
ME613966
-
-
-
-
gsh-13C10
Glutathione
ME613967
-
-
-
-
glycerate
Glyceric acid
ME614000
-
-
-
-
glycerate-13C3
Glyceric acid
ME613999
-
-
-
-
glycine
Glycine
ME613924
-
-
-
-
glycine-13C2
Glycine
ME613925
-
-
-
-
gly-gly
Gly-Gly
ME614204
-
-
-
-
gly-gly-13C
Gly-Gly
ME614203
-
-
-
-
GMP
GMP
ME613983
-
-
-
-
GMP-13C10
GMP
ME613984
-
-
-
-
GTP
GTP
ME614080
-
-
-
-
GTP-13C10
GTP
ME614079
-
-
-
-
Guanidinoacetate
Guanidoacetic acid
ME614094
-
-
-
-
guanidinoacetate-13C3
Guanidoacetic acid
ME614092
-
-
-
-
histidine
Histidine
ME613913
-
-
-
-
histidine-13C6
Histidine
ME613959
-
-
-
-
homocitrulline
Homocitrulline
ME614200
-
-
-
-
homocitrulline-13C7
Homocitrulline
ME614201
-
-
-
-
homocysteine
Homocysteine
ME614190
-
-
-
-
homocysteine-13C4
Homocysteine
ME614185
-
-
-
-
hydroxyproline
Hydroxyproline
ME613914
-
-
-
-
hydroxyproline-13C5
Hydroxyproline
ME613915
-
-
-
-
hypotaurine
Hypotaurine
ME614056
-
-
-
-
hypotaurine-13C2
Hypotaurine
ME614055
-
-
-
-
hypoxanthine
Hypoxanthine
ME613990
-
-
-
-
hypoxanthine-13C5
Hypoxanthine
ME613991
-
-
-
-
IMP
IMP
ME613974
-
-
-
-
IMP-13C10
IMP
ME613973
-
-
-
-
indolelactate
Indolelactic acid
ME614169
-
-
-
-
indolelactate-13C11
Indolelactic acid
ME614172
-
-
-
-
Inosine
Inosine
ME614133
-
-
-
-
inosine-13C10
Inosine
ME614134
-
-
-
-
isoleucine
Isoleucine
ME613901
-
-
-
-
isoleucine-13C
Isoleucine
ME614132
-
-
-
-
isoleucine-13C6
Isoleucine
ME613902
-
-
-
-
itaconate-13C
Itaconic acid
ME614210
-
-
-
-
itaconic-acid
Itaconic acid
ME614211
-
-
-
-
3-methyl-2-oxobutyrate
Ketoisovaleric acid
ME614163
-
-
-
-
3-methyl-2-oxobutyrate-13C5
Ketoisovaleric acid
ME614164
-
-
-
-
Kynurenine
Kynurenine
ME614089
-
-
-
-
kynurenine-13C10
Kynurenine
ME614088
-
-
-
-
lactate
Lactic acid
ME613899
-
-
-
-
lactate-13C3
Lactic acid
ME613900
-
-
-
-
leucine
Leucine
ME613898
-
-
-
-
leucine-13C6
Leucine
ME614129
-
-
-
-
lysine
Lysine
ME613932
-
-
-
-
lysine-13C6
Lysine
ME614081
-
-
-
-
Malate
Malic acid
ME614109
-
-
-
-
malate-13C4
Malic acid
ME614108
-
-
-
-
mannose
Mannose
ME614197
-
-
-
-
mannose-13C6
Mannose
ME614198
-
-
-
-
methionine
Methionine
ME613903
-
-
-
-
methionine-13C5
Methionine
ME613904
-
-
-
-
methionine-sulfoxide
Methionine sulfoxide
ME614053
-
-
-
-
Methionine_sulfoxide-13C
Methionine sulfoxide
ME614140
-
-
-
-
methionine-sulfoxide-13C5
Methionine sulfoxide
ME614052
-
-
-
-
methylthioadenosine
Methylthioadenosine
ME614035
-
-
-
-
methylthioadenosine-13C11
Methylthioadenosine
ME614034
-
-
-
-
myo-inositol
Myo-inositol
ME614023
-
-
-
-
myo-inositol-13C6
Myo-inositol
ME614022
-
-
-
-
N6-acetyllysine
N6-Acetyllysine
ME614188
-
-
-
-
N6-acetyllysine-13C8
N6-Acetyllysine
ME614186
-
-
-
-
trimethyllysine
N-6-Trimethyllysine
ME614077
-
-
-
-
trimethyllysine-13C9
N-6-Trimethyllysine
ME614078
-
-
-
-
acetylalanine
N-Acetylalanine
ME613986
-
-
-
-
acetylalanine-13C5
N-Acetylalanine
ME613987
-
-
-
-
acetylaspartate
N-Acetylaspartic acid
ME614015
-
-
-
-
acetylaspartate-13C6
N-Acetylaspartic acid
ME614016
-
-
-
-
acetylglutamate
N-Acetylglutamic acid
ME614058
-
-
-
-
acetylglutamate-13C7
N-Acetylglutamic acid
ME614057
-
-
-
-
acetylglutamine
N-Acetylglutamic acid
ME613994
-
-
-
-
acetylglutamine-13C7
N-Acetylglutamic acid
ME613995
-
-
-
-
acetylglycine
N-Acetylglycine
ME614049
-
-
-
-
acetylglycine-13C4
N-Acetylglycine
ME614050
-
-
-
-
acetylmethionine
N-Acetylmethionine
ME614038
-
-
-
-
acetylmethionine-13C7
N-Acetylmethionine
ME614039
-
-
-
-
NAD
NAD
ME614008
-
-
-
-
NAD-13C21
NAD
ME614009
-
-
-
-
NADP
NADP
ME614110
-
-
-
-
NADP-13C21
NADP
ME614111
-
-
-
-
formyl-methionine
N-Formylmethionine
ME614168
-
-
-
-
formyl-methionine-13C6
N-Formylmethionine
ME614166
-
-
-
-
Niacinamide
Niacinamide
ME614082
-
-
-
-
niacinamide-13C6
Niacinamide
ME614083
-
-
-
-
ornithine
Ornithine
ME613931
-
-
-
-
ornithine-13C5
Ornithine
ME614124
-
-
-
-
Orotate
Orotic acid
ME614135
-
-
-
-
orotate-13C5
Orotic acid
ME614136
-
-
-
-
gssg
Oxidized glutathione
ME614030
-
-
-
-
gssg-13C20
Oxidized glutathione
ME614031
-
-
-
-
p-aminobenzoate
p-Aminobenzoic acid
ME613996
-
-
-
-
p-aminobenzoate-13C7
p-Aminobenzoic acid
ME613997
-
-
-
-
Pantothenate
Pantothenic acid
ME614127
-
-
-
-
phenylalanine
Phenylalanine
ME613897
-
-
-
-
phenylalanine-13C9
Phenylalanine
ME614175
-
-
-
-
phosphocreatine
Phosphocreatine
ME614062
-
-
-
-
phosphocreatine-13C4
Phosphocreatine
ME614059
-
-
-
-
Phosphoenolpyruvate
Phosphoenolpyruvic acid
ME614117
-
-
-
-
phosphoenolpyruvate-13C3
Phosphoenolpyruvic acid
ME614116
-
-
-
-
o-phosphoethanolamine
Phosphoethanolamine
ME613976
-
-
-
-
o-phosphoethanolamine-13C2
Phosphoethanolamine
ME613975
-
-
-
-
Phosphoserine
Phosphoserine
ME614157
-
-
-
-
phosphoserine-13C3
Phosphoserine
ME614158
-
-
-
-
picolinate
Picolinic acid
ME614174
-
-
-
-
picolinate-13C6
Picolinic acid
ME614173
-
-
-
-
pipecolate
Pipecolic acid
ME614183
-
-
-
-
pipecolate-13C6
Pipecolic acid
ME614182
-
-
-
-
proline
Proline
ME613908
-
-
-
-
proline-13C
Proline
ME614187
-
-
-
-
proline-13C5
Proline
ME613907
-
-
-
-
pyridoxal
Pyridoxal
ME613935
-
-
-
-
pyridoxal-13C8
Pyridoxal
ME613937
-
-
-
-
pyridoxine
Pyridoxine
ME614042
-
-
-
-
pyridoxine-13C8
Pyridoxine
ME614043
-
-
-
-
pyroglutamate-5-oxoproline
Pyroglutamic acid
ME614177
-
-
-
-
pyroglutamate-5-oxoproline-13C5
Pyroglutamic acid
ME614178
-
-
-
-
pyruvate
Pyruvic acid
ME614086
-
-
-
-
pyruvate-13C3
Pyruvic acid
ME614087
-
-
-
-
Riboflavin
Riboflavin
ME614125
-
-
-
-
riboflavin-13C17
Riboflavin
ME614126
-
-
-
-
ribose-5-phosphate
Ribose 5-phosphate
ME614064
-
-
-
-
ribose-5-phosphate-13C5
Ribose 5-phosphate
ME614063
-
-
-
-
sah
S-Adenosylhomocysteine
ME614054
-
-
-
-
SAH-13C14
S-Adenosylhomocysteine
ME614051
-
-
-
-
sarcosine
Sarcosine
ME614196
-
-
-
-
sarcosine-13C3
Sarcosine
ME614195
-
-
-
-
serine
Serine
ME613923
-
-
-
-
serine-13C3
Serine
ME614091
-
-
-
-
Glycerol-3-phosphate
sn-Glycero-3-phosphate
ME614098
-
-
-
-
glycerol-3-phosphate-13C3
sn-Glycero-3-phosphate
ME614097
-
-
-
-
Glycerophosphocholine
sn-Glycero-3-phosphocholine
ME614142
-
-
-
-
glycerophosphocholine-13C8
sn-Glycero-3-phosphocholine
ME614143
-
-
-
-
sorbitol
Sorbitol
ME614002
-
-
-
-
sorbitol-13C6
Sorbitol
ME614001
-
-
-
-
Succinate
Succinic acid
ME614100
-
-
-
-
succinate-13C4
Succinic acid
ME614099
-
-
-
-
taurine
Taurine
ME613921
-
-
-
-
taurine-13C2-15N
Taurine
ME613920
-
-
-
-
thiamine
Thiamine
ME613944
-
-
-
-
thiamine-13C12
Thiamine
ME613945
-
-
-
-
threonine
Threonine
ME613912
-
-
-
-
Threonine-13C
Threonine
ME613958
-
-
-
-
threonine-13C4
Threonine
ME614199
-
-
-
-
thymidine
Thymidine
ME614036
-
-
-
-
thymidine-13C10
Thymidine
ME614037
-
-
-
-
tryptophan
Tryptophan
ME613905
-
-
-
-
tryptophan-13C11
Tryptophan
ME614176
-
-
-
-
tyrosine
Tyrosine
ME613909
-
-
-
-
tyrosine-13C9
Tyrosine
ME614189
-
-
-
-
UDP
UDP
ME614024
-
-
-
-
UDP-13C9
UDP
ME614025
-
-
-
-
UDP-glucose
UDP-glucose
ME614027
-
-
-
-
UDP-glucose-13C15
UDP-glucose
ME614026
-
-
-
-
UDP-GlcNAc
UDP-N-acetylglucosamine
ME614149
-
-
-
-
UDP-GlcNAc-13C17
UDP-N-acetylglucosamine
ME614151
-
-
-
-
UMP
UMP
ME613970
-
-
-
-
UMP-13C9
UMP
ME613969
-
-
-
-
Uracil
Uracil
ME614084
-
-
-
-
uracil-13C
Uracil
ME613936
-
-
-
-
uracil-13C4
Uracil
ME614085
-
-
-
-
Uric-acid
Uric acid
ME614141
-
-
-
-
uric-acid-13C5
Uric acid
ME614139
-
-
-
-
uridine
Uridine
ME614045
-
-
-
-
uridine-13C9
Uridine
ME614046
-
-
-
-
trans-urocanate
Urocanic acid
ME613950
-
-
-
-
trans-urocanate-13C6
Urocanic acid
ME613948
-
-
-
-
UTP
UTP
ME614073
-
-
-
-
UTP-13C9
UTP
ME614074
-
-
-
-
valine
Valine
ME613906
-
-
-
-
valine-13C
Valine
ME614184
-
-
-
-
valine-13C5
Valine
ME613998
-
-
-
-
ascorbate
Vitamin C
ME614205
-
-
-
-
ascorbate-13C
Vitamin C
ME614206
-
-
-
-
xanthine
Xanthine
ME613951
-
-
-
-
xanthine-13C5
Xanthine
ME613949
-
-
-
-
L-Alpha-aminobutyric-acid-2ߕ_4
-
ME614192
-
-
-
-
pantothentate-13C9
-
ME614128
-
-
-
-
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