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Return to study ST002431 main page
Analysis: HILIC POSITIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
11a-Hydroxyprogesterone
11alpha-Hydroxyprogesterone
ME576158
-
-
-
-
1 3-Dimethyluric acid
-
ME576128
-
-
-
-
1-Methylimidazole acetic acid
-
ME576114
-
-
-
-
2 2-dimethylsuccinic acid
-
ME576146
-
-
-
-
3-Cresotinic acid
-
ME576161
-
-
-
-
3-Phenylbutyric acid
3-Phenylbutyric acid
ME576155
-
-
-
-
3-Phosphoglycerate
3-Phosphoglyceric acid
ME576163
-
-
-
-
3-Phosphoserine
Phosphoserine
ME576164
-
-
-
-
4-Aminobutyrate
gamma-Aminobutyric acid
ME576091
-
-
-
-
4-Guanidinobutanoic acid
4-Guanidinobutanoic acid
ME576101
-
-
-
-
5-Aminoimidazole-4-carboxamide ribonucleoside (AIC...
-
ME576129
-
-
-
-
5-Aminoimidazole-4-carboxamide ribonucleotide
-
ME576069
-
-
-
-
5-Hydroxylysine
5-Hydroxylysine
ME576045
-
-
-
-
5-Methylcytosine
5-Methylcytosine
ME576133
-
-
-
-
5- Methylthioadenosine
5'-Methylthioadenosine
ME576154
-
-
-
-
6-Phosphogluconate
6-Phosphogluconic acid
ME576165
-
-
-
-
Acetyl-arginine
N-Acetylarginine
ME576098
-
-
-
-
Acetyl CoA
Acetyl-CoA
ME576074
-
-
-
-
Acetyllysine
N(2)-Acetyllysine
ME576088
-
-
-
-
Acetyl-Methionine
N-Acetylmethionine
ME576136
-
-
-
-
Acetyl-Phenylalanine
N-Acetylphenylalanine
ME576145
-
-
-
-
Acetyl proline
-
ME576121
-
-
-
-
Aconitate
trans-Aconitic acid
ME576059
-
-
-
-
Adenine
Adenine
ME576141
-
-
-
-
Adenosine
Adenosine
ME576139
-
-
-
-
ADP
ADP
ME576051
-
-
-
-
ADP-D-Glucose
ADP-glucose
ME576066
-
-
-
-
Alanine
Alanine
ME576102
-
-
-
-
AMP
AMP
ME576076
-
-
-
-
Androstenedione
Androstenedione
ME576157
-
-
-
-
Arginine
Arginine
ME576046
-
-
-
-
Asparagine
Asparagine
ME576092
-
-
-
-
Aspartate
Aspartic acid
ME576081
-
-
-
-
ATP
ATP
ME576039
-
-
-
-
Betaine
Betaine
ME576113
-
-
-
-
Butyryl CoA
Butyryl-CoA
ME576085
-
-
-
-
Carnitine
Carnitine
ME576099
-
-
-
-
CDP
CDP
ME576166
-
-
-
-
CDP-Choline
CDP-choline
ME576062
-
-
-
-
Citrulline
Citrulline
ME576167
-
-
-
-
CMP
CMP
ME576055
-
-
-
-
Coenzyme A
Coenzyme A
ME576071
-
-
-
-
Creatinine
Creatinine
ME576134
-
-
-
-
CTP
CTP
ME576035
-
-
-
-
Cyclic AMP
3',5' cyclic AMP
ME576117
-
-
-
-
Cystathionine
Cystathionine
ME576061
-
-
-
-
Cystine
Cystine
ME576075
-
-
-
-
Cytosine
Cytosine
ME576168
-
-
-
-
Deoxyadenosine
Deoxyadenosine
ME576151
-
-
-
-
Deoxyinosine
Deoxyinosine
ME576131
-
-
-
-
D-Glyceraldehyde-3-phosphate
Glyceraldehyde 3-phosphate
ME576058
-
-
-
-
Dihydroorotate
4,5-Dihydroorotic acid
ME576170
-
-
-
-
Dihydroxyacetone phosphate
Dihydroxyacetone phosphate
ME576067
-
-
-
-
Dihydroxybenzeneacetic acid
Dihydroxybenzeneacetic acid
ME576156
-
-
-
-
Dimethylglycine
Dimethylglycine
ME576107
-
-
-
-
D-sedoheptulose-1 7-phosphate
Sedoheptulose 7-phosphate
ME576169
-
-
-
-
FAD
FAD
ME576084
-
-
-
-
Fructose-1 6-bisphosphate
Fructose 1,6-bisphosphate
ME576037
-
-
-
-
Fructose-6-phosphate
Fructose 6-phosphate
ME576056
-
-
-
-
GDP
GDP
ME576171
-
-
-
-
Glucose-6-phosphate
Glucose 6-phosphate
ME576049
-
-
-
-
Glutamate
Glutamic acid
ME576082
-
-
-
-
Glutamine
Glutamine
ME576096
-
-
-
-
Glutathione
Glutathione
ME576080
-
-
-
-
Glutathione disulfide
Oxidized glutathione
ME576040
-
-
-
-
Glycerol-3-phosphate
sn-Glycero-3-phosphate
ME576070
-
-
-
-
Glycerophosphocholine
sn-Glycero-3-phosphocholine
ME576087
-
-
-
-
GMP
GMP
ME576053
-
-
-
-
GTP
GTP
ME576034
-
-
-
-
Guanidinoacetate
Guanidoacetic acid
ME576172
-
-
-
-
Guanine
Guanine
ME576125
-
-
-
-
Guanosine
Guanosine
ME576174
-
-
-
-
Histidine
Histidine
ME576097
-
-
-
-
Homocitrulline
Homocitrulline
ME576093
-
-
-
-
Homocysteine
Homocysteine
ME576115
-
-
-
-
Hydroquinone
Hydroquinone
ME576149
-
-
-
-
Hydroxyindoleacetic acid
Hydroxyindoleacetic acid
ME576132
-
-
-
-
Hydroxymandelic acid
Hydroxymandelic acid
ME576140
-
-
-
-
Hydroxyphenyllactic acid
Hydroxyphenyllactic acid
ME576138
-
-
-
-
Hypoxanthine
Hypoxanthine
ME576135
-
-
-
-
IMP
IMP
ME576173
-
-
-
-
Indole
Indole
ME576159
-
-
-
-
Inosine
Inosine
ME576175
-
-
-
-
Isoleucine
Isoleucine
ME576120
-
-
-
-
Itaconic acid
Itaconic acid
ME576089
-
-
-
-
L-arginino-succinate
Argininosuccinic acid
ME576052
-
-
-
-
Leucic acid
Leucinic acid
ME576144
-
-
-
-
Leucine
Leucine
ME576122
-
-
-
-
L-Octanoylcarnitine
CAR 8:0
ME576176
-
-
-
-
L-Palmitoylcarnitine
CAR 16:0
ME576177
-
-
-
-
Lysine
Lysine
ME576041
-
-
-
-
Malonyl-CoA
Malonyl-CoA
ME576072
-
-
-
-
Mandelic acid
Mandelic acid
ME576148
-
-
-
-
Mannose-6-phosphate
Mannose 6-phosphate
ME576178
-
-
-
-
Methionine
Methionine
ME576118
-
-
-
-
Methylnicotinamide
Methyl nicotinamide
ME576109
-
-
-
-
N-Acetylaspartate
N-Acetylaspartic acid
ME576083
-
-
-
-
N-acetyl-glutamate
N-Acetylglutamic acid
ME576086
-
-
-
-
N-acetyl-glutamine
N-Acetylglutamine
ME576179
-
-
-
-
N-acetyl-L-ornithine
N-Acetylornithine
ME576090
-
-
-
-
N-Acetylputrescine
N-Acetylputrescine
ME576105
-
-
-
-
N-Acetyltyrosine
N-Acetyltyrosine
ME576130
-
-
-
-
NAD+
NAD
ME576065
-
-
-
-
NADH
NADH
ME576079
-
-
-
-
NADP+
NADP
ME576042
-
-
-
-
NADPH
NADPH
ME576048
-
-
-
-
N-carbomoyl-L-aspartate
-
ME576077
-
-
-
-
Nicotinamide ribotide
Nicotinamide ribotide
ME576054
-
-
-
-
Nicotinate
Nicotinic acid
ME576127
-
-
-
-
O-Butanoylcarnitine
CAR 4:0
ME576180
-
-
-
-
O-Decanoyl-L-carnitine
CAR 10:0
ME576181
-
-
-
-
O-Propanoylcarnitine
CAR 3:0
ME576182
-
-
-
-
Ornithine
Ornithine
ME576047
-
-
-
-
Pantothenate
Pantothenic acid
ME576119
-
-
-
-
Phenylacetylglycine
Phenylacetylglycine
ME576150
-
-
-
-
Phenylalanine
Phenylalanine
ME576124
-
-
-
-
Phenylethanolamine
2-Hydroxyphenethylamine
ME576142
-
-
-
-
Phenyllactic acid
Phenyllactic acid
ME576152
-
-
-
-
Phosphocholine
Choline phosphate
ME576050
-
-
-
-
Phosphoenolpyruvate
Phosphoenolpyruvic acid
ME576183
-
-
-
-
Pipecolic acid
Pipecolic acid
ME576106
-
-
-
-
PosIS_Alanine-2H4-15N
-
ME576187
-
-
-
-
PosIS_Glutamine-2H5-15N2
-
ME576188
-
-
-
-
PosIS_Inosine-15N4
-
ME576189
-
-
-
-
PosIS_Lysine-2H8
-
ME576190
-
-
-
-
PosIS_Serine-13C3-15N1
-
ME576191
-
-
-
-
Proline
Proline
ME576104
-
-
-
-
Propionyl CoA
Propionyl-CoA
ME576078
-
-
-
-
Pterin
Pterin
ME576123
-
-
-
-
Pyridoxamine
Pyridoxamine
ME576108
-
-
-
-
Pyridoxamine 5-phosphate
Pyridoxamine 5'-phosphate
ME576043
-
-
-
-
Ribulose-5-phosphate
Ribulose 5-phosphate
ME576184
-
-
-
-
S-adenosyl-L-homocysteine
S-Adenosylhomocysteine
ME576095
-
-
-
-
S-adenosyl-L-methionine
S-Adenosylmethionine
ME576057
-
-
-
-
Serine
Serine
ME576094
-
-
-
-
Spermine
Spermine
ME576162
-
-
-
-
Succinyl-CoA
Succinyl-CoA
ME576073
-
-
-
-
Tetrahydrocortisone
Tetrahydrocortisone
ME576160
-
-
-
-
Thiamine
Thiamine
ME576103
-
-
-
-
Thiamine pyrophosphate
Thiamine diphosphate
ME576038
-
-
-
-
Threonine
Threonine
ME576100
-
-
-
-
Thymidine
Thymidine
ME576153
-
-
-
-
Trehalose-6-phosphate
Trehalose 6-phosphate
ME576044
-
-
-
-
Tryptamine
Tryptamine
ME576143
-
-
-
-
Tryptophan
Tryptophan
ME576126
-
-
-
-
Tyrosine
Tyrosine
ME576111
-
-
-
-
UDP
UDP
ME576185
-
-
-
-
UDP-D-Glucose
UDP-glucose
ME576060
-
-
-
-
UDP-N-acetyl-glucosamine
UDP-N-acetylglucosamine
ME576068
-
-
-
-
UMP
UMP
ME576063
-
-
-
-
Uracil
Uracil
ME576147
-
-
-
-
Uridine
Uridine
ME576137
-
-
-
-
Urocanic acid
Urocanic acid
ME576116
-
-
-
-
UTP
UTP
ME576036
-
-
-
-
Valine
Valine
ME576110
-
-
-
-
Xanthosine
Xanthosine
ME576112
-
-
-
-
Xanthosine-5-phosphate
XMP
ME576064
-
-
-
-
Xylose-5-phosphate
-
ME576186
-
-
-
-
Analysis: HILIC NEGATIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
1-Methyladenosine
1-Methyladenosine
ME576296
-
-
-
-
2 3-dihydroxybenzoic acid
-
ME576312
-
-
-
-
2-Hydroxy-3-methylbutyric acid
2-Hydroxy-3-methylbutyric acid
ME576291
-
-
-
-
2-Hydroxybutyric acid
2-Hydroxybutyric acid
ME576283
-
-
-
-
2-Hydroxyglutarate
2-Hydroxyglutaric acid
ME576234
-
-
-
-
2-hydroxy pyridine
2-Hydroxypyridine
ME576305
-
-
-
-
3 4-Dimethoxyphenylacetic acid
-
ME576297
-
-
-
-
3-Phenylbutyric acid
3-Phenylbutyric acid
ME576310
-
-
-
-
3-Phosphoserine
Phosphoserine
ME576331
-
-
-
-
4-Guanidinobutanoic acid
4-Guanidinobutanoic acid
ME576255
-
-
-
-
4-Hydroxy-3-methylbenzoic acid
-
ME576299
-
-
-
-
5-Aminoimidazole-4-carboxamide ribonucleotide
-
ME576220
-
-
-
-
5-Methylcytosine
5-Methylcytosine
ME576285
-
-
-
-
5- Methylthioadenosine
5'-Methylthioadenosine
ME576313
-
-
-
-
6-Phosphogluconate
6-Phosphogluconic acid
ME576317
-
-
-
-
Acetyl-arginine
N-Acetylarginine
ME576252
-
-
-
-
Acetylcholine
Acetylcholine
ME576282
-
-
-
-
Acetyl CoA
Acetyl-CoA
ME576336
-
-
-
-
Acetyl glycine
N-Acetylglycine
ME576268
-
-
-
-
Acetyl leucine
-
ME576294
-
-
-
-
Acetyllysine
N(2)-Acetyllysine
ME576242
-
-
-
-
Acetyl-Methionine
N-Acetylmethionine
ME576288
-
-
-
-
Acetyl-Phenylalanine
N-Acetylphenylalanine
ME576303
-
-
-
-
Aconitate
trans-Aconitic acid
ME576212
-
-
-
-
Adenine
Adenine
ME576293
-
-
-
-
ADP
ADP
ME576206
-
-
-
-
ADP-D-Glucose
ADP-glucose
ME576217
-
-
-
-
a-ketoglutarate
2-Oxoglutaric acid
ME576245
-
-
-
-
Alanine
Alanine
ME576256
-
-
-
-
Aminoadipic acid
Aminoadipic acid
ME576227
-
-
-
-
AMP
AMP
ME576222
-
-
-
-
Arginine
Arginine
ME576202
-
-
-
-
Asparagine
Asparagine
ME576246
-
-
-
-
Aspartate
Aspartic acid
ME576231
-
-
-
-
ATP
ATP
ME576197
-
-
-
-
Butyryl CoA
Butyryl-CoA
ME576338
-
-
-
-
Carbamoyl phosphate
Carbamoylphosphate
ME576319
-
-
-
-
CDP
CDP
ME576318
-
-
-
-
Citrulline
Citrulline
ME576320
-
-
-
-
CMP
CMP
ME576210
-
-
-
-
Coenzyme A
Coenzyme A
ME576335
-
-
-
-
Creatinine
Creatinine
ME576286
-
-
-
-
Cresol
-
ME576308
-
-
-
-
CTP
CTP
ME576193
-
-
-
-
Cystathionine
Cystathionine
ME576214
-
-
-
-
Cytosine
Cytosine
ME576321
-
-
-
-
Deoxyribose phosphate
Deoxyribose 5-phosphate
ME576223
-
-
-
-
Dihydroxyacetone phosphate
Dihydroxyacetone phosphate
ME576218
-
-
-
-
D-Xylose
Xylose
ME576273
-
-
-
-
FAD
FAD
ME576236
-
-
-
-
Fructose-1 6-bisphosphate
Fructose 1,6-bisphosphate
ME576195
-
-
-
-
Fructose-6-phosphate
Fructose 6-phosphate
ME576211
-
-
-
-
Fumarate
Fumaric acid
ME576244
-
-
-
-
Galacturonic acid
Galacturonic acid
ME576228
-
-
-
-
Glucose
Glucose
ME576259
-
-
-
-
Glucose-6-phosphate
Glucose 6-phosphate
ME576205
-
-
-
-
Glucuronic acid
Glucuronic acid
ME576237
-
-
-
-
Glutamate
Glutamic acid
ME576232
-
-
-
-
Glutamine
Glutamine
ME576249
-
-
-
-
Glutathione
Glutathione
ME576230
-
-
-
-
Glutathione disulfide
Oxidized glutathione
ME576198
-
-
-
-
Glycerate
Glyceric acid
ME576267
-
-
-
-
Glycerol-3-phosphate
sn-Glycero-3-phosphate
ME576221
-
-
-
-
Glycerophosphocholine (+HAc)
sn-Glycero-3-phosphocholine
ME576241
-
-
-
-
Glycine
Glycine
ME576253
-
-
-
-
GMP
GMP
ME576209
-
-
-
-
GTP
GTP
ME576192
-
-
-
-
Guanine
Guanine
ME576280
-
-
-
-
Histidine
Histidine
ME576250
-
-
-
-
Homocysteine
Homocysteine
ME576269
-
-
-
-
Hydroxy-methoxycinnamic acid
-
ME576298
-
-
-
-
Hydroxyoctanoic acid
Hydroxyoctanoic acid
ME576307
-
-
-
-
Hydroxyphenyllactic acid
Hydroxyphenyllactic acid
ME576290
-
-
-
-
Hydroxyphenyl pyruvate
-
ME576309
-
-
-
-
Hypoxanthine
Hypoxanthine
ME576287
-
-
-
-
IDP
IDP
ME576332
-
-
-
-
IMP
IMP
ME576328
-
-
-
-
Inositol
Inositol
ME576240
-
-
-
-
Isocitrate
Isocitric acid
ME576208
-
-
-
-
Isoleucine
Isoleucine
ME576272
-
-
-
-
Itaconic acid
Itaconic acid
ME576339
-
-
-
-
Lactate
Lactic acid
ME576275
-
-
-
-
L-arginino-succinate
Argininosuccinic acid
ME576207
-
-
-
-
Leucic acid
Leucinic acid
ME576301
-
-
-
-
Leucine
Leucine
ME576277
-
-
-
-
Lysine
Lysine
ME576199
-
-
-
-
Malate
Malic acid
ME576226
-
-
-
-
Malonic acid
Malonic acid
ME576233
-
-
-
-
Malonyl-CoA
Malonyl-CoA
ME576333
-
-
-
-
Mannose-6-phosphate
Mannose 6-phosphate
ME576322
-
-
-
-
Methionine
Methionine
ME576270
-
-
-
-
Methionine sulfoxide
Methionine sulfoxide
ME576251
-
-
-
-
Methylphenyllactate
-
ME576314
-
-
-
-
N-Acetylaspartate
N-Acetylaspartic acid
ME576235
-
-
-
-
N-acetyl-glutamate
N-Acetylglutamic acid
ME576239
-
-
-
-
N-acetyl-glutamine
N-Acetylglutamine
ME576323
-
-
-
-
N-Acetyl-L-alanine
N-Acetylalanine
ME576276
-
-
-
-
N-acetyl-L-ornithine
N-Acetylornithine
ME576243
-
-
-
-
NAD+
NAD
ME576216
-
-
-
-
NADH
NADH
ME576229
-
-
-
-
NADP+
NADP
ME576200
-
-
-
-
NADPH
NADPH
ME576204
-
-
-
-
N-carbomoyl-L-aspartate
-
ME576224
-
-
-
-
NegIS_Alanine-2H4-15N
-
ME576340
-
-
-
-
NegIS_Glucose-2H7-13C6
-
ME576341
-
-
-
-
NegIS_Glutamine-2H5-15N2
-
ME576342
-
-
-
-
NegIS_Glycine-13C2_15N1
-
ME576343
-
-
-
-
NegIS_Inosine-15N4
-
ME576344
-
-
-
-
NegIS_Lysine-2H8
-
ME576345
-
-
-
-
NegIS_Malate-2H3
-
ME576346
-
-
-
-
NegIS_Serine-13C3-15N1
-
ME576347
-
-
-
-
NegIS_Thymine-2H4
-
ME576348
-
-
-
-
Nicotinate
Nicotinic acid
ME576284
-
-
-
-
Ornithine
Ornithine
ME576203
-
-
-
-
Orotate
Orotic acid
ME576324
-
-
-
-
Pantothenate
Pantothenic acid
ME576271
-
-
-
-
Phenylacetylglycine
Phenylacetylglycine
ME576300
-
-
-
-
Phenylalanine
Phenylalanine
ME576279
-
-
-
-
Phenylethanolamine
2-Hydroxyphenethylamine
ME576295
-
-
-
-
Phenyllactic acid
Phenyllactic acid
ME576306
-
-
-
-
Phenylpropanolamine
Phenylpropanolamine
ME576302
-
-
-
-
Phenyl-pyruvate
Phenylpyruvic acid
ME576315
-
-
-
-
Phosphoenolpyruvate
Phosphoenolpyruvic acid
ME576325
-
-
-
-
Pipecolic acid
Pipecolic acid
ME576263
-
-
-
-
Proline
Proline
ME576261
-
-
-
-
Propionyl CoA
Propionyl-CoA
ME576337
-
-
-
-
Pterin
Pterin
ME576278
-
-
-
-
Pyridoxamine
Pyridoxamine
ME576264
-
-
-
-
Pyridoxamine 5-phosphate
Pyridoxamine 5'-phosphate
ME576201
-
-
-
-
Pyridoxic acid
Pyridoxic acid
ME576311
-
-
-
-
Pyruvate
Pyruvic acid
ME576292
-
-
-
-
Ribulose-5-phosphate
Ribulose 5-phosphate
ME576330
-
-
-
-
S-adenosyl-L-homocysteine
S-Adenosylhomocysteine
ME576248
-
-
-
-
Serine
Serine
ME576247
-
-
-
-
Sorbitol
Sorbitol
ME576262
-
-
-
-
Succinate
Succinic acid
ME576238
-
-
-
-
Succinyl-CoA
Succinyl-CoA
ME576334
-
-
-
-
Tartaric acid
Tartaric acid
ME576225
-
-
-
-
Thiamine
Thiamine
ME576260
-
-
-
-
Thiamine pyrophosphate
Thiamine diphosphate
ME576196
-
-
-
-
Threonic acid
Threonic acid
ME576257
-
-
-
-
Threonine
Threonine
ME576254
-
-
-
-
Thymine
Thymine
ME576326
-
-
-
-
Tryptophan
Tryptophan
ME576281
-
-
-
-
Tyrosine
Tyrosine
ME576266
-
-
-
-
UDP
UDP
ME576327
-
-
-
-
UDP-D-Glucose
UDP-glucose
ME576213
-
-
-
-
UDP-N-acetyl-glucosamine
UDP-N-acetylglucosamine
ME576219
-
-
-
-
UMP
UMP
ME576215
-
-
-
-
Undecanoic acid
Undecylic acid
ME576316
-
-
-
-
Uracil
Uracil
ME576304
-
-
-
-
Uric acid
Uric acid
ME576258
-
-
-
-
Uridine
Uridine
ME576289
-
-
-
-
UTP
UTP
ME576194
-
-
-
-
Valine
Valine
ME576265
-
-
-
-
Xanthine
Xanthine
ME576274
-
-
-
-
Xylose-5-phosphate
-
ME576329
-
-
-
-
UCSD Metabolomics Workbench, a resource sponsored by the Common Fund of the National Institutes of Health
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