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Return to study ST000043 main page
Analysis: MS positive ion mode
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
11-BETA-HYDROXYANDROST-4-ENE-3,17-DIONE
11beta-Hydroxyandrost-4-ene-3,17-dione
ME647939
94141
C05284
-
-
12-HYDROXY-DODECANOIC ACID
12-Hydroxy lauric acid
ME647940
79034
C08317
-
-
17ALPHA-HYDROXYPROGESTERONE
17alpha-Hydroxyprogesterone
ME647941
6238
C01176
-
-
1-METHYLADENOSINE
1-Methyladenosine
ME647942
27476
C02494
-
-
CYTIDINE 2`,3`-CYCLIC MONOPHOSPHATE (CCMP)
2',3' cyclic CMP
ME648017
68934
C02354
-
-
ANTHRANILATE
2-Aminobenzoic acid
ME647987
227
C00108
-
-
2-AMINOPHENOL
2-Aminophenol
ME647951
5801
C01987
-
-
2-DEOXY-D-GLUCOSE
2-Deoxy-glucose
ME647952
439268
C00586
-
-
2-HYDROXY-4-(METHYLTHIO)BUTYRIC ACID
2-Hydroxy-4-(methylthio)butanoic acid
ME647953
11427
CA1484
-
-
2-HYDROXYPHENYLACETIC ACID
2-Hydroxyphenylacetic acid
ME647954
11914
C01983
-
-
HYDROXYPHENYLACETIC / MANDELIC ACID
2-Hydroxyphenylacetic acid
ME648068
11914
CA1513
-
-
2-METHYLGLUTARIC ACID
2-Methylglutaric acid
ME647955
12046
CA1107
-
-
3,3`-DITHIODIVALINE
3,3'-Dithiodivaline
ME647957
258527
CA1489
-
-
ADENOSINE 3`,5`-CYCLIC MONOPHOSPHATE
3',5' cyclic AMP
ME647977
6076
C00575
-
-
3,5-DIIODO-L-THYRONINE
3,5-Diiodothyronine
ME647958
123675
CE6369
-
-
3`-CMP
3'-CMP
ME647959
66535
C05822
-
-
3-HYDROXYANTHRANILATE
3-Hydroxyanthranilic acid
ME647961
86
C00632
-
-
3-HYDROXY-3-METHYLGLUTARATE
3-Hydroxymethylglutaric acid
ME647960
1662
C03761
-
-
3-METHYLADENINE
3-Methyladenine
ME647962
1673
C00913
-
-
N(PAI)-METHYL-L-HISTIDINE
3-Methylhistidine
ME648088
64969
C01152
-
-
DIHYDROOROTATE
4,5-Dihydroorotic acid
ME648031
648
C00337
-
-
4-ACETAMIDOBUTANOATE
4-Acetamidobutanoic acid
ME647964
18189
C02946
-
-
4-AMINOBENZOYLGLUTAMIC ACID
4-Aminobenzoylglutamic acid
ME647966
65138
CA1491
-
-
4-GUANIDINOBUTANOIC ACID
4-Guanidinobutanoic acid
ME647967
500
C01035
-
-
5`-DEOXYADENOSINE
5'-Deoxyadenosine
ME647969
439182
C05198
-
-
5-HYDROXYINDOLE-3-ACETIC ACID
5-Hydroxyindoleacetic acid
ME647971
1826
C05635
-
-
5-HYDROXY-L-TRYPTOPHAN
5-Hydroxy-tryptophan
ME647972
439280
C00643
-
-
5`-METHYLTHIOADENOSINE
5'-Methylthioadenosine
ME647970
439176
C00170
-
-
THIOPURINE S-METHYLETHER
6-Methylthiopurine
ME648154
5778
C03542
-
-
6-PHOSPHOGLUCONIC ACID
6-Phosphogluconic acid
ME647974
91493
C00345
-
-
ADENINE
Adenine
ME647975
190
C00147
-
-
ADENOSINE
Adenosine
ME647976
60961
C00212
-
-
ADENOSINE 5`-DIPHOSPHATE
ADP
ME647978
6022
C00008
-
-
ADENOSINE DIPHOSPHATE
ADP
ME647980
6022
CA1496
-
-
ADP-RIBOSE
ADP-ribose
ME647981
192
C00301
-
-
ALANINE
Alanine
ME647982
5950
C01401
-
-
ALLANTOIN
Allantoin
ME647983
204
C01551
-
-
AMINOHYDROXYBENZOIC ACID
Aminohydroxybenzoic acid
ME647984
-
CA1514
-
-
ADENOSINE 5`-MONOPHOSPHATE
AMP
ME647979
6083
C00020
-
-
ANDROSTERONE
Androsterone
ME647986
5879
C00523
-
-
PENTITOL
Arabitol
ME648115
827
CA1511
-
-
[13C]-ARGININE
Arginine
ME647926
6322
CA1719
-
-
ARGININE
Arginine
ME647988
6322
C02385
-
-
ARG-VAL-TRP
Arg-Val-Trp
ME647989
-
CA1890
-
-
ASPARAGINE
Asparagine
ME647991
6267
C16438
-
-
[13C]-ASPARTIC ACID
Aspartic acid
ME647927
5960
CA1745
-
-
ASPARTATE
Aspartic acid
ME647992
5960
C16433
-
-
BENZOIN
Benzoin
ME647993
8400
C01408
-
-
BIOTIN
Biotin
ME647994
171548
C00120
-
-
BIS(2-ETHYLHEXYL)PHTHALATE
Bis(2-ethylhexyl)phthalate
ME647995
8343
C03690
-
-
CAFFEINE
Caffeine
ME648003
2519
C07481
-
-
O-ACETYL-L-CARNITINE
CAR 2:0
ME648108
1
C02571
-
-
CARNOSINE
Carnosine
ME648004
439224
C00386
-
-
CYTIDINE 5`-DIPHOSPHATE
CDP
ME648018
6132
C00112
-
-
CYTIDINE 5`-DIPHOSPHOCHOLINE
CDP-choline
ME648019
13804
C00307
-
-
PHOSPHOCHOLINE
Choline phosphate
ME648121
135437
C00588
-
-
2-METHYLMALEATE
Citraconic acid
ME647956
643798
C02226
-
-
CITRAMALATE
Citramalic acid
ME648005
1081
C00815
-
-
CITRATE
Citric acid
ME648006
311
C00158
-
-
CYTIDINE 5`-MONOPHOSPHATE
CMP
ME648020
6131
C00055
-
-
CORTICOSTERONE
Corticosterone
ME648007
5753
C02140
-
-
CORTISOL 21-ACETATE
Cortisol 21-acetate
ME648008
5744
C02821
-
-
CORTISONE
Cortisone
ME648009
222786
C00762
-
-
CREATINE
Creatine
ME648010
586
C00300
-
-
CREATININE
Creatinine
ME648011
588
C00791
-
-
CREATININE FROM COMPLEX
Creatinine
ME648012
588
C00791
-
-
N-CYCLOHEXYLSULFAMIC ACID
Cyclamic acid
ME648101
7533
CA1328
-
-
CYSTEIC ACID
Cysteic acid
ME648013
72886
C00506
-
-
CYSTEINE
Cysteine
ME648014
594
C00736
-
-
CYSTINE
Cystine
ME648015
595
C01420
-
-
CYTIDINE
Cytidine
ME648016
6175
C00475
-
-
CYTOSINE
Cytosine
ME648021
597
C00380
-
-
2`-DEOXYADENOSINE 5`-DIPHOSPHATE
dADP
ME647945
188966
C00206
-
-
2`-DEOXYCYTIDINE 5`-DIPHOSPHATE
dCDP
ME647947
150855
C00705
-
-
2`-DEOXYADENOSINE
Deoxyadenosine
ME647944
13730
C00559
-
-
DEOXYCHOLATE
Deoxycholic acid
ME648022
222528
C04483
-
-
DEOXYCORTICOSTERONE
Deoxy-corticosterone
ME648023
6166
C14554
-
-
2`-DEOXYCYTIDINE
Deoxycytidine
ME647946
13711
C00881
-
-
2`-DEOXYGUANOSINE
Deoxyguanosine
ME647948
187790
C00330
-
-
DEOXYRIBOSE
Deoxyribose
ME648024
9828112
C01801
-
-
DETHIOBIOTIN
Dethiobiotin
ME648025
445027
C01909
-
-
1,2-DIPALMITOYL-SN-GLYCEROL
DG 16:0_16:0
ME647938
644078
CA1156
-
-
2`-DEOXYGUANOSINE 5`-DIPHOSPHATE
dGDP
ME647949
439220
C00361
-
-
2`-DEOXYGUANOSINE 5`-MONOPHOSPHATE
dGMP
ME647950
65059
C00362
-
-
DGTP
dGTP
ME648026
65103
C00286
-
-
DIHYDROFOLATE
Dihydrofolic acid
ME648030
98792
C00415
-
-
DIHYDROXYACETONE PHOSPHATE
Dihydroxyacetone phosphate
ME648032
668
C00111
-
-
DIMETHYLBENZIMIDAZOLE
Dimethylbenzimidazole
ME648034
675
C03114
-
-
O-PHOSPHO-DL-SERINE
DL-O-Phosphoserine
ME648109
106
CA1209
-
-
DOCOSAHEXAENOIC ACID
Docosahexaenoic acid
ME648037
445580
C06429
-
-
EDTA
Edetic acid
ME648038
6049
C00284
-
-
ERYTHRITOL
Erythritol
ME648040
222285
C00503
-
-
ESTRADIOL 17 ALPHA
Estradiol-17alpha
ME648041
68570
C02537
-
-
ETHYL 4-OXOCYCLOHEXANECARBOXYLATE
Ethyl 4-oxocyclohexanecarboxylate
ME648042
317638
CA1342
-
-
FLAVIN ADENINE DINUCLEOTIDE
FAD
ME648043
643975
C00016
-
-
FOLIC ACID
Folic acid
ME648044
6037
C00504
-
-
FRUCTOSE 1,6-BIPHOSPHATE
Fructose 1,6-bisphosphate
ME648046
172313
C00354
-
-
GUANOSINE 5`-DIPHOSPHATE
GDP
ME648060
8977
C00035
-
-
GDP-GLUCOSE
GDP-glucose
ME648047
644106
C00394
-
-
GLUCOSAMINE 6-PHOSPHATE
Glucosamine 6-phosphate
ME648048
439217
C00352
-
-
GLUCOSAMINE 6-SULFATE
Glucosamine 6-sulfate
ME648049
72361
CA1422
-
-
[13C]-GLUTAMATE
Glutamic acid
ME647928
-
CA1731
-
-
GLUTAMIC ACID
Glutamic acid
ME648050
33032
C00302
-
-
GLUTAMINE
Glutamine
ME648051
5961
C00303
-
-
GLUTATHIONE
Glutathione
ME648052
124886
C00127
-
-
GLYCERIC ACID
Glyceric acid
ME648053
439194
C00258
-
-
GLYCINE
Glycine
ME648055
750
C00037
-
-
GUANOSINE 5` MONOPHOSPHATE
GMP
ME648059
6804
C00144
-
-
GUANINE
Guanine
ME648057
764
C00242
-
-
GUANOSINE
Guanosine
ME648058
6802
C00387
-
-
HEXOSE
Hexose
ME648062
206
C01381
-
-
HIPPURATE
Hippuric acid
ME648063
464
C01586
-
-
HISTIDINE
Histidine
ME648064
6274
C00768
-
-
HOMOCYSTEINE
Homocysteine
ME648065
778
C05330
-
-
HOMOCYSTINE
Homocystine
ME648066
10010
C01817
-
-
HOMOSERINE
Homoserine
ME648067
12647
C00263
-
-
HYPOTAURINE
Hypotaurine
ME648069
107812
C00519
-
-
HYPOXANTHINE
Hypoxanthine
ME648070
790
C00262
-
-
INOSINE 5`-DIPHOSPHATE
IDP
ME648074
6831
C00104
-
-
INDOLE-3-ACETIC ACID
Indoleacetic acid
ME648071
802
C00954
-
-
INDOXYL
Indoxyl
ME648072
50591
C05658
-
-
INOSINE
Inosine
ME648073
6021
C00294
-
-
ISOCITRIC ACID
Isocitric acid
ME648075
1198
C00311
-
-
4-METHYL-2-OXOPENTANOATE
Ketoleucine
ME647968
70
C00233
-
-
KYNURENINE
Kynurenine
ME648076
161166
C01718
-
-
[13C]-LEUCINE
Leucine
ME647929
6106
CA1831
-
-
LEUCINE
Leucine
ME648077
6106
C16439
-
-
LUMICHROME
Lumichrome
ME648078
5326566
C01727
-
-
[13C]-LYSINE
Lysine
ME647930
5962
CA1684
-
-
LYSINE
Lysine
ME648079
5962
C16440
-
-
MALATE
Malic acid
ME648080
222656
C00711
-
-
MANNOSE-6-PHOSPHATE
Mannose 6-phosphate
ME648081
439198
C00275
-
-
MELATONIN
Melatonin
ME648082
896
C01598
-
-
[13C]-METHIONINE
Methionine
ME647931
6137
CA1790
-
-
METHIONINE
Methionine
ME648083
6137
C01733
-
-
METHYL BETA-D-GALACTOSIDE
Methyl beta-D-galactoside
ME648084
94214
C03619
-
-
METHYL JASMONATE
Methyl jasmonate
ME648085
5281929
C11512
-
-
METHYL PARABEN
Methylparaben
ME648086
7456
CA1357
-
-
1-OLEOYL-RAC-GLYCEROL
MG 18:1
ME647943
5319879
CA1373
-
-
MONO-ETHYL MALONATE
Monoethyl malonic acid
ME648087
70615
CA1417
-
-
N6-(DELTA2-ISOPENTENYL)-ADENINE
N6-Isopentenyladenine
ME648090
92180
C04083
-
-
N,N,N-TRIMETHYLLYSINE
N-6-Trimethyllysine
ME648089
440120
C03793
-
-
NICOTINIC ACID ADENINE DINUCLEOTIDE PHOSPHATE
NAADP
ME648107
123953
C13051
-
-
N-ACETYL-L-ALANINE
N-Acetylalanine
ME648094
88064
CE1554
-
-
N-ACETYL-L-ASPARTIC ACID
N-Acetylaspartic acid
ME648095
65065
CA1200
-
-
N-ACETYL-DL-GLUTAMIC ACID
N-Acetylglutamic acid
ME648092
70914
CA1454
-
-
N-ACETYL-D-HEXOSAMINE
N-Acetylhexosamine
ME648091
24139
CA1500
-
-
N-ACETYL-L-LEUCINE
N-Acetylleucine
ME648096
75619
C02710
-
-
N-ACETYL-DL-METHIONINE
N-Acetylmethionine
ME648093
448580
CA1210
-
-
N-ACETYLNEURAMINATE
N-Acetylneuraminic acid
ME648097
439197
C00270
-
-
N-ACETYLPUTRESCINE
N-Acetylputrescine
ME648098
122356
C02714
-
-
N-ACETYLSEROTONIN
N-Acetylserotonin
ME648099
903
C00978
-
-
NICOTINAMIDE ADENINE DINUCLEOTIDE
NAD
ME648103
10897651
C00003
-
-
NICOTINAMIDE ADENINE DINUCLEOTIDE PHOSPHATE
NADP
ME648104
5886
C00006
-
-
N-CYCLOHEXYLFORMAMIDE
N-Cyclohexylformamide
ME648100
13017
C11519
-
-
FORMYL-L-METHIONINE
N-Formylmethionine
ME648045
6995182
C03145
-
-
NICOTINAMIDE
Niacinamide
ME648102
936
C00153
-
-
NICOTINAMIDE HYPOXANTHINE DINUCLEOTIDE
Nicotinamide purin-6-ol-dinucleotide
ME648105
440334
C04423
-
-
NICOTINAMIDE MONONUCLEOTIDE
Nicotinamide ribotide
ME648106
14180
C00455
-
-
OPHTHALMIC ACID
Ophthalmic acid
ME648111
7018721
CA1475
-
-
ORNITHINE
Ornithine
ME648112
6262
C01602
-
-
OROTIDINE 5`-MONOPHOSPHATE
Orotidylic acid
ME648113
160617
C01103
-
-
4-AMINOBENZOATE
p-Aminobenzoic acid
ME647965
978
C00568
-
-
PANTOTHENIC ACID
Pantothenic acid
ME648114
988
C00864
-
-
1,2-DIDECANOYL-SN-GLYCERO-3-PHOSPHOCHOLINE
PC 10:0/10:0
ME647937
16219892
CA1375
-
-
DIOLEOYLPHOSPHATIDYLCHOLINE
PC 18:1/18:1
ME648036
6437081
Z02138
-
-
PENTOPYRANOSE
Pentopyranose
ME648116
641630
CA1493
-
-
PHENYLACETIC ACID
Phenylacetic acid
ME648117
999
C07086
-
-
[13C]-PHENYLALANINE
Phenylalanine
ME647932
6140
CA1855
-
-
PHENYLALANINE
Phenylalanine
ME648118
6140
C02057
-
-
PHOSPHOCREATINE
Phosphocreatine
ME648122
587
C02305
-
-
PHOSPHO(ENOL)PYRUVIC ACID
Phosphoenolpyruvic acid
ME648120
1005
C00074
-
-
PHOSPHOGLYCERIC ACID
Phosphoglyceric acid
ME648123
724
CA1497
-
-
PHOSPHATE
Phosphoric acid
ME648119
1004
C00009
-
-
PHTHALATE
Phthalic acid
ME648124
1017
C01606
-
-
PIPECOLIC ACID
Pipecolic acid
ME648125
849
C00408
-
-
PREGNENOLONE
Pregnenolone
ME648127
8955
C01953
-
-
PROGESTERONE
Progesterone
ME648128
5994
C00410
-
-
[13C]-PROLINE
Proline
ME647933
145742
CA1754
-
-
PROLINE
Proline
ME648129
145742
C16435
-
-
PTERIN
Pterin
ME648130
73000
C00715
-
-
PYRIDOXAL
Pyridoxal
ME648131
1050
C00250
-
-
PYRIDOXAL 5`-PHOSPHATE
Pyridoxal 5'-phosphate
ME648132
1051
C00018
-
-
PYRIDOXAMINE
Pyridoxamine
ME648133
1052
C00534
-
-
PYRIDOXINE
Pyridoxine
ME648134
1054
C00314
-
-
5-OXO-PROLINE
Pyroglutamic acid
ME647973
499
C01879
-
-
RAFFINOSE
Raffinose
ME648135
439242
C00492
-
-
RIBOFLAVIN
Riboflavin
ME648136
493570
C00255
-
-
RIBOSE 5-PHOSPHATE
Ribose 5-phosphate
ME648137
439167
C00117
-
-
RIBULOSE 1,5-BISPHOSPHATE
Ribulose 1,5-bisphosphate
ME648138
123658
C01182
-
-
S-ADENOSYL-L-HOMOCYSTEINE
S-Adenosylhomocysteine
ME648140
439155
C00021
-
-
S-ADENOSYL METHIONINE
S-Adenosylmethionine
ME648139
34755
C00019
-
-
SALSOLINOL
Salsolinol
ME648141
54456
C09642
-
-
SELENOCYSTAMINE
Selenocystamine
ME648142
115119
CA1403
-
-
SEROTONIN
Serotonin
ME648143
5202
C00780
-
-
SHIKIMATE
Shikimic acid
ME648144
8742
C00493
-
-
SPHINGOMYELIN
SM 18:1;O2/18:0
ME648150
53481362
C00550
-
-
GLYCEROL PHOSPHATE
sn-Glycero-3-phosphate
ME648054
439162
CA1512
-
-
SN-GLYCERO-3-PHOSPHOCHOLINE
sn-Glycero-3-phosphocholine
ME648145
657272
C00670
-
-
SORBIC ACID
Sorbic acid
ME648146
643460
CA1411
-
-
HEXITOL
Sorbitol
ME648061
453
CA1510
-
-
SPERMIDINE
Spermidine
ME648147
1102
C00315
-
-
SPERMINE
Spermine
ME648148
1103
C00750
-
-
SPHINGANINE
Sphinganine
ME648149
91486
C00836
-
-
STACHYOSE
Stachyose
ME648151
439531
C01613
-
-
TAURINE
Taurine
ME648152
1123
C00245
-
-
THEOPHYLLINE
Theophylline
ME648153
2153
C07130
-
-
[13C]-THREONINE
Threonine
ME647934
6288
CA1727
-
-
THYMIDINE
Thymidine
ME648155
5789
C00214
-
-
TRANS-CYCLOHEXANE-1,2-DIOL
trans-Cyclohexane-1,2-diol
ME648156
92886
C03739
-
-
TRIGONELLINE
Trigonelline
ME648157
5570
C01004
-
-
TRYPTOPHAN
Tryptophan
ME648158
6305
C00806
-
-
TRYPTOPHANAMIDE
Tryptophanamide
ME648159
439356
C00977
-
-
[13C]-TYROSINE
Tyrosine
ME647935
6057
CA1825
-
-
TYROSINE
Tyrosine
ME648160
6057
C01536
-
-
URIDINE 5`-DIPHOSPHATE
UDP
ME648165
6031
C00015
-
-
URIDINE-5-MONOPHOSPHATE
UMP
ME648166
6030
C00105
-
-
UREA
Urea
ME648163
1176
C00086
-
-
3-UREIDOPROPIONIC ACID
Ureidopropionic acid
ME647963
111
CA1202
-
-
URATE
Uric acid
ME648161
1175
C00366
-
-
URIDINE
Uridine
ME648164
6029
C00299
-
-
UROCANATE
Urocanic acid
ME648167
1549103
C00785
-
-
[13C]-VALINE
Valine
ME647936
6287
CA1779
-
-
VALINE
Valine
ME648168
6287
C16436
-
-
ASCORBATE
Vitamin C
ME647990
54670067
C00072
-
-
XANTHINE
Xanthine
ME648169
1188
C00385
-
-
XANTHOSINE
Xanthosine
ME648170
64959
C01762
-
-
XANTHOSINE 5`-MONOPHOSPHATE
XMP
ME648171
73323
C00655
-
-
AMINOHYDROXYBUTANOIC ACID
-
ME647985
-
CA1508
-
-
BOC-ALA (+NA)
-
ME647996
-
CA1333
-
-
BOC-ALA-OH
-
ME647997
85082
CA1333
-
-
BOC-ASN
-
ME647998
82035
C01410
-
-
BOC-ASP-OH
-
ME647999
302432
CA1350
-
-
BOC-HIS-OH
-
ME648000
87308
CA1336
-
-
BOC-LYS-OH
-
ME648001
7018769
CA1424
-
-
BOC-PHE-OH
-
ME648002
77857
CA1334
-
-
DIACYL-GLYCEROPHOSPHOCHOLINE (C50H82NO8P PROBABLY)
-
ME648027
-
UP0027
-
-
DIACYL-PHOSPHATIDYLCHOLINE
-
ME648028
-
UP0012
-
-
DIHEXOSE
-
ME648029
-
CA1495
-
-
DI-LINOLEOYL-3-SN-PHOSPHATIDYLCHOLINE (POSSIBLY)
-
ME648033
-
UP0002
-
-
DIMETHYLXANTHINE
-
ME648035
185974
CA1507
-
-
ENKEPHALINE, (D-ALA)2-LEU
-
ME648039
-
CA1037
-
-
GLYCOLITHOCHOLIC ACID ETHYL ESTER
-
ME648056
16219441
CA1349
-
-
O-PHOSPHONOHEXOPYRANOSE
-
ME648110
-
CA1494
-
-
POSSIBLE L-LEUCYL-L-LEUCINE
-
ME648126
-
U03237
-
-
URDINE 5`-DIPHOSPHO-N-ACETYLGALACTOSAMINE
-
ME648162
-
CA1401
-
-
UCSD Metabolomics Workbench, a resource sponsored by the Common Fund of the National Institutes of Health
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