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Return to study ST002031 main page
Analysis: Reversed phase POSITIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
2',3'-Cyclic CMP
2',3' cyclic CMP
ME471120
-
C02354
-
-
Anthranilate
2-Aminobenzoic acid
ME471160
-
C00108
-
-
5-Guanidino-2-oxopentanoate
2-Oxoarginine
ME471141
-
C03771
-
-
3',5'-Cyclic AMP
3',5' cyclic AMP
ME471119
-
C00575
-
-
4-Acetamidobutanoate
4-Acetamidobutanoic acid
ME471144
-
C02946
-
-
gamma-Glutamyl-gamma-aminobutyrate
4-(Glutamylamino) butanoate
ME471130
-
C15767
-
-
g-Oxalo-crotonate
4-Oxalocrotonic acid
ME471161
-
C03453
-
-
5-Hydroxyindoleacetate
5-Hydroxyindoleacetic acid
ME471154
-
C05635
-
-
5-Hydroxyisourate
5-Hydroxyisouric acid
ME471118
-
C11821
-
-
Acetylcholine
Acetylcholine
ME471168
-
C01996
-
-
Adenosine
Adenosine
ME471109
-
C00212
-
-
L-alanine
Alanine
ME471091
-
C00041
-
-
Allantoate
Allantoic acid
ME471117
-
C00499
-
-
L-arginine
Arginine
ME471092
-
C00062
-
-
L-asparagine
Asparagine
ME471093
-
C00152
-
-
L-aspartate
Aspartic acid
ME471094
-
C00049
-
-
O-dodecanoyl-carnitine (acyl-C12)
CAR 12:0
ME471180
-
HMDB02250
-
-
O-dodecenoyl-carnitine (acyl-C12:1)
CAR 12:1
ME471181
-
HMDB13326
-
-
O-tetradecanoyl-L-carnitine (acyl-C14)
CAR 14:0
ME471182
-
HMDB05066
-
-
Tetradecenoyl Carnitine (acyl-C14:1)
CAR 14:1
ME471183
-
HMDB13329
-
-
L-Palmitoylcarnitine (acyl-C16)
CAR 16:0
ME471184
-
C02990
-
-
Hexadecenoyl-carnitine (acyl-C16:1)
CAR 16:1
ME471185
-
HMDB06317
-
-
O-octadecenoyl-L-carnitine (acyl-C18:1)
CAR 18:1
ME471186
-
HMDB06351
-
-
acetyl-carnitine (acyl-C2)
CAR 2:0
ME471170
-
C02571
-
-
acyl-C20:4
CAR 20:4
ME471188
-
ac125
-
-
propionyl-carnitine (acyl-C3)
CAR 3:0
ME471171
-
C03017
-
-
butanoyl-l-carnitine (acyl-C4)
CAR 4:0
ME471172
-
C02862
-
-
acyl-C4-OH (Hydroxybutyrylcarnitine)
CAR 4:0;OH
ME471173
-
HMDB13127
-
-
acyl-C5:1 (Tiglylcarnitine)
CAR 5:1
ME471174
-
HMDB02366
-
-
hexanoyl-L-carnitine (acyl-C6)
CAR 6:0
ME471176
-
HMDB00756
-
-
L-octanoylcarnitine (acyl-C8)
CAR 8:0
ME471177
-
C02838
-
-
L-Carnitine
Carnitine
ME471169
-
C00318
-
-
Carnosine
Carnosine
ME471140
-
C00386
-
-
L-Citrulline
Citrulline
ME471135
-
C00327
-
-
Creatine
Creatine
ME471142
-
C00300
-
-
Creatinine
Creatinine
ME471143
-
C00791
-
-
L-cystine
Cystine
ME471108
-
C00491
-
-
Cytidine
Cytidine
ME471111
-
C00475
-
-
Cytosine
Cytosine
ME471112
-
C00380
-
-
5-6-Dihydrothymine
Dihydrothymine
ME471121
-
C00906
-
-
5-6-Dihydrouracil
Dihydrouracil
ME471149
-
C00429
-
-
Dimethylglycine
Dimethylglycine
ME471132
-
C01026
-
-
Dopamine
Dopamine
ME471164
-
C03758
-
-
Ectoine
Ectoine
ME471165
-
C06231
-
-
L-Adrenaline
Epinephrine
ME471163
-
C00788
-
-
D-Glucosamine
Glucosamine
ME471139
-
C00329
-
-
L-glutamate
Glutamic acid
ME471095
-
C00025
-
-
L-glutamine
Glutamine
ME471096
-
C00064
-
-
Guanidinoacetate
Guanidoacetic acid
ME471146
-
C00581
-
-
Guanine
Guanine
ME471110
-
C00242
-
-
L-histidine
Histidine
ME471097
-
C00135
-
-
L-Homocysteine
Homocysteine
ME471131
-
C00155
-
-
Hydroxyindole-acetylglycine
Hydroxyindoleacetylglycine
ME471162
-
C05832
-
-
Hypoxanthine
Hypoxanthine
ME471115
-
C00262
-
-
IMP
IMP
ME471113
-
C00130
-
-
Indole
Indole
ME471155
-
C00463
-
-
Indolepyruvate
Indolepyruvate
ME471156
-
C00331
-
-
Indoxyl
Indoxyl
ME471157
-
C05658
-
-
Inosine
Inosine
ME471114
-
C00294
-
-
kynurenine
Kynurenine
ME471158
-
C00328
-
-
L-leucine/isoleucine
Leucine/Isoleucine
ME471098
-
C00123
-
-
acyl-C18:2 (Linoleoyl-CoA)
Linoleoyl-CoA
ME471187
-
HMDB01064
-
-
L-lysine
Lysine
ME471099
-
C00047
-
-
L-methionine
Methionine
ME471100
-
C00073
-
-
L-Methionine S-oxide
Methionine sulfoxide
ME471153
-
C02989
-
-
N-Acetylornithine
N-Acetylornithine
ME471145
-
C00437
-
-
NAD+
NAD+
ME471125
-
C00003
-
-
NADP+
NADP+
ME471124
-
C00006
-
-
N-formyl kynurenine
N-Formyl-L-kynurenine
ME471159
-
C02700
-
-
Nicotinamide
Niacinamide
ME471123
-
C00153
-
-
N-Methylethanolamine phosphate
N-Methylethanolamine phosphate
ME471166
-
C01210
-
-
Ornithine
Ornithine
ME471134
-
C01602
-
-
Glutathione disulfide
Oxidized glutathione
ME471127
-
C00127
-
-
Pantetheine
Pantetheine
ME471150
-
C00831
-
-
Pantetheine 4--phosphate
Pantetheine 4'-phosphate
ME471151
-
C01134
-
-
Pantothenol
Pantothenol
ME471148
-
C00864
-
-
L-phenylalanine
Phenylalanine
ME471101
-
C00079
-
-
Phosphate
Phosphoric acid
ME471126
-
C00009
-
-
L-proline
Proline
ME471102
-
C00148
-
-
Putrescine
Putrescine
ME471136
-
C00134
-
-
Pyridoxamine 5'-phosphate
Pyridoxamine 5'-phosphate
ME471122
-
C00647
-
-
5-Oxoproline
Pyroglutamic acid
ME471128
-
C01879
-
-
S-Adenosyl-L-methionine
S-Adenosylmethionine
ME471133
-
C00019
-
-
L-serine
Serine
ME471103
-
C00065
-
-
S-Glutathionyl-L-cysteine
S-Glutathionyl-cysteine
ME471129
-
C05526
-
-
Spermidine
Spermidine
ME471137
-
C00315
-
-
Spermine
Spermine
ME471138
-
C00750
-
-
Sphingosine
Sphingosine
ME471167
-
C00319
-
-
Taurine
Taurine
ME471152
-
C00245
-
-
L-threonine
Threonine
ME471104
-
C00188
-
-
trans-4-Hydroxy-L-proline
trans-4-Hydroxyproline
ME471147
-
C01157
-
-
L-tryptophan
Tryptophan
ME471105
-
C00078
-
-
L-tyrosine
Tyrosine
ME471106
-
C00082
-
-
L-valine
Valine
ME471107
-
C00183
-
-
Xanthine
Xanthine
ME471116
-
C00385
-
-
acyl-C5-OH (hydroxyisovalerylcarnitine)
-
ME471175
-
ac107
-
-
octenoyl-l-carnitine (acyl-C8:1)
-
ME471178
-
ac111
-
-
O-Decenoyl-L-carnitine (acyl-C10:1)
-
ME471179
-
CID57357170
-
-
Analysis: Reversed phase NEGATIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
2-Hydroxyglutarate/Citramalate
2-Hydroxyglutaric acid
ME471230
-
C02630
-
-
2-Oxoglutaramate
2-Keto-glutaramic acid
ME471225
-
C00940
-
-
2-Oxoglutarate
2-Oxoglutaric acid
ME471224
-
C00026
-
-
2/3-Phospho-D-glycerate
2-Phosphoglyceric acid
ME471215
-
C00631
-
-
1/2-3-Bisphosphoglycerate
3-Phospho-D-glyceroyl dihydrogen phosphate
ME471214
-
C00236
-
-
3-Sulfino-L-alanine
3-Sulfino-alanine
ME471251
-
C00606
-
-
3-Sulfocatechol
3-Sulfocatechol
ME471252
-
C06336
-
-
4-Pyridoxate
4-Pyridoxic acid
ME471206
-
C00847
-
-
6-Phospho-D-gluconate
6-Phosphogluconic acid
ME471231
-
C00345
-
-
D-Glucono-1-5-lactone 6-phosphate
6-Phosphonoglucono-D-lactone
ME471232
-
C01236
-
-
Adenine
Adenine
ME471193
-
C00147
-
-
ADP
ADP
ME471190
-
C00008
-
-
ADP-D-ribose
ADP-ribose
ME471208
-
C01882
-
-
Adrenic acid (7,10,13,16-Docosatetraenoic acid)
Adrenic acid
ME471279
-
C16527
-
-
(S)(+)-Allantoin
Allantoin
ME471203
-
C02350
-
-
AMP
AMP
ME471191
-
C00020
-
-
D-Arabitol
Arabitol
ME471222
-
C01904
-
-
ATP
ATP
ME471189
-
C00002
-
-
Decanoic acid (capric acid)
Capric acid
ME471266
-
C01571
-
-
Hexanoic acid (caproate)
Caproic acid
ME471262
-
C01585
-
-
Octanoic acid (caprylic acid)
Caprylic acid
ME471264
-
C06423
-
-
Citrate
Citric acid
ME471223
-
C00158
-
-
CMP
CMP
ME471197
-
C00055
-
-
CMP-N-acetylneuraminate
CMP-N-acetylneuraminic acid
ME471248
-
C00128
-
-
L-Cysteate
Cysteic acid
ME471253
-
C00506
-
-
dAMP
dAMP
ME471192
-
C00360
-
-
Dihomo-gamma-linolenic acid ((8Z-11Z-14Z)-Icosatri...
Dihomo-gamma-linolenic acid
ME471281
-
C03242
-
-
Docosahexaenoic acid
Docosahexaenoic acid
ME471278
-
C06429
-
-
Docosapentaenoic acid ((7Z-10Z-13Z-16Z-19Z)-Docosa...
DPA
ME471282
-
C16513
-
-
Eicosapentaenoic acid
Eicosapentaenoic acid
ME471280
-
C06428
-
-
Arachidonic acid (Eicosatetraenoic acid)
Eicosatetraenoic acid
ME471276
-
C00219
-
-
D-Erythrose 4-phosphate
Erythrose 4-phosphate
ME471233
-
C00279
-
-
D-Fructose 1-6-bisphosphate
Fructose 1,6-bisphosphate
ME471212
-
C00354
-
-
Fumarate
Fumaric acid
ME471227
-
C00122
-
-
gamma-L-Glutamyl-L-cysteine
gamma-Glutamylcysteine
ME471239
-
C00669
-
-
(5-L-Glutamyl)-L-glutamine
gamma-Glutamylglutamine
ME471241
-
C05283
-
-
gamma-L-Glutamyl-D-alanine
gamma-L-Glutamyl-D-alanine
ME471240
-
C03738
-
-
GDP
GDP
ME471195
-
C00035
-
-
alpha-D-Glucosamine 1-phosphate
Glucosamine 1-phosphate
ME471246
-
C06156
-
-
D-Glucose
Glucose
ME471210
-
C00031
-
-
Glutathione
Glutathione
ME471236
-
C00051
-
-
D-Glyceraldehyde 3-phosphate/Glycerone phosphate
Glyceraldehyde 3-phosphate
ME471213
-
C00118
-
-
GMP
GMP
ME471196
-
C00144
-
-
GTP
GTP
ME471194
-
C00044
-
-
Heptanoic acid
Heptylic acid
ME471263
-
C17714
-
-
D-Glucose 6/1-phosphate
Hexose 6-phosphate
ME471211
-
C02965
-
-
Indole-3-acetaldehyde
Indoleacetaldehyde
ME471254
-
C00637
-
-
Indole-3-acetate
Indoleacetic acid
ME471255
-
C00954
-
-
ITP
ITP
ME471202
-
C00081
-
-
Lactate
Lactic acid
ME471218
-
C01432
-
-
Dodecanoic acid (lauric acid)
Lauric acid
ME471267
-
C02679
-
-
Dehydroascorbate
L-Dehydroascorbic acid
ME471238
-
C05422
-
-
Linoleic acid ((9Z,12Z)-Octadecadienoic acid)
Linoleic acid
ME471274
-
C01595
-
-
Malate
Malic acid
ME471228
-
C00149
-
-
Tetradecanoic acid (myristic acid)
Myristic acid
ME471268
-
C06424
-
-
Tetradecenoic acid (myristoleic acid)
Myristoleic acid
ME471271
-
C08322
-
-
N-Acetylneuraminate
N-Acetylneuraminic acid
ME471244
-
C00270
-
-
N-Glycoloyl-neuraminate
N-Glycoloylneuraminic acid
ME471245
-
C03410
-
-
a-Linolenic acid (Octadecatrienoic acid)
Octadecatrienoic acid
ME471275
-
C06427
-
-
Octadecenoic acid (Oleic acid)
Oleic acid
ME471273
-
C00712
-
-
Oxaloacetate
Oxaloacetic acid
ME471229
-
C00036
-
-
Hexadecanoic acid (palmitic acid)
Palmitic acid
ME471269
-
C00249
-
-
Hexadecenoic acid (Palmitoleic acid)
Palmitoleic acid
ME471272
-
C08362
-
-
Nonanoic acid (pelargonic acid)
Pelargonic acid
ME471265
-
C01601
-
-
Phosphocreatine
Phosphocreatine
ME471249
-
C02305
-
-
Phosphoenolpyruvate
Phosphoenolpyruvic acid
ME471216
-
C00074
-
-
Ethanolamine phosphate
Phosphoethanolamine
ME471260
-
C00346
-
-
3-Phosphonooxypyruvate
Phosphohydroxypyruvic acid
ME471242
-
C03232
-
-
Picolinic acid
Picolinic acid
ME471257
-
C10164
-
-
Pyridoxal
Pyridoxal
ME471205
-
C00250
-
-
Diphosphate
Pyrophosphate
ME471209
-
C00013
-
-
Pyruvate
Pyruvic acid
ME471217
-
C00022
-
-
quinolinic acid
Quinolinic acid
ME471256
-
C03722
-
-
D-Rhamnose
Rhamnose
ME471221
-
C01684
-
-
D-Ribose
Ribose
ME471220
-
C00121
-
-
alpha-D-Ribose 1-phosphate
Ribose 1-phosphate
ME471235
-
C00620
-
-
Glycerol 3-phosphate
sn-Glycero-3-phosphate
ME471259
-
C00093
-
-
Mannitol/Sorbitol
Sorbitol
ME471219
-
C00392/C00794
-
-
Sphingosine 1-phosphate
Sphingosine 1-phosphate
ME471261
-
C06124
-
-
Octadecanoic acid (stearic acid)
Stearic acid
ME471270
-
C01530
-
-
Stearidonic acid ((6Z,9Z,12Z,15Z)-Octadecatetraeno...
Stearidonic acid
ME471277
-
C16300
-
-
Succinate
Succinic acid
ME471226
-
C00042
-
-
Tetrahydrofolate
THF
ME471243
-
C00101
-
-
Thymidine
Thymidine
ME471198
-
C00214
-
-
UDP-glucose
UDP-glucose
ME471207
-
C00029
-
-
UDP-N-acetyl-D-glucosamine
UDP-N-acetylglucosamine
ME471247
-
C00043
-
-
UMP
UMP
ME471200
-
C00105
-
-
Uracil
Uracil
ME471201
-
C00106
-
-
Urate
Uric acid
ME471204
-
C00366
-
-
UTP
UTP
ME471199
-
C00075
-
-
Ascorbate
Vitamin C
ME471237
-
C00072
-
-
3D-(3-5/4)-Trihydroxycyclohexane-1-2-dione
-
ME471258
-
C04287
-
-
N-Succinyl-L-glutamate 5-semialdehyde
-
ME471250
-
C05932
-
-
Sedoheptulose 1/7-phosphate
-
ME471234
-
C06222
-
-
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