Log in
/
Register
Home
Overview
Upload / Manage Studies
Browse / Search Studies
Analyze Studies
Data Sharing Policy
Tutorials
FAQ
Data Repository
Overview
Upload / Manage Studies
Browse / Search Studies
Analyze Studies
Data Sharing Policy
Tutorials
FAQ
Databases
Overview
Metabolite Database
Human Metabolome Gene/Protein Database (MGP)
RefMet: Reference List of Metabolite Names
External Metabolomics Databases (Links)
Protocols
Overview
General Protocols
Study-specific Protocols
Tools
Overview
Load and analyze your own dataset
Analyze Studies
MS Searches
Structure drawing
REST Service
External Tools (Links)
About
Overview
Publishing Partners
How to Cite
How to Link
Terms of Use
Personnel
Contact
Sitemap
Search
Keyword Search
Advanced Searches
Return to study ST001968 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
L-Glutamic acid
Glutamic acid
ME454324
33032
C00025
-
-
Glycine
Glycine
ME454308
750
C00037
-
-
L-Lysine
Lysine
ME454328
5962
C00047
-
-
L-Aspartic acid
Aspartic acid
ME454321
5960
C00049
-
-
L-Arginine
Arginine
ME454319
6322
C00062
-
-
L-Glutamine
Glutamine
ME454325
5961
C00064
-
-
L-Serine
Serine
ME454333
5951
C00065
-
-
L-Methionine
Methionine
ME454329
6137
C00073
-
-
Ornithine
Ornithine
ME454349
6262
C00077
-
-
L-Tryptophan
Tryptophan
ME454335
6305
C00078
-
-
L-Phenylalanine
Phenylalanine
ME454331
6140
C00079
-
-
L-Tyrosine
Tyrosine
ME454336
6057
C00082
-
-
Beta-Alanine
beta-Alanine
ME454285
239
C00099
-
-
Uracil
Uracil
ME454371
1174
C00106
-
-
Choline
Choline
ME454290
305
C00114
-
-
Biotin
Biotin
ME454287
171548
C00120
-
-
Putrescine
Putrescine
ME454359
1045
C00134
-
-
L-Histidine
Histidine
ME454326
6274
C00135
-
-
Guanosine monophosphate
GMP
ME454313
6804
C00144
-
-
Adenine
Adenine
ME454278
190
C00147
-
-
L-Proline
Proline
ME454332
145742
C00148
-
-
L-Asparagine
Asparagine
ME454320
6267
C00152
-
-
Niacinamide
Niacinamide
ME454344
936
C00153
-
-
5'-Methylthioadenosine
5'-Methylthioadenosine
ME454277
439176
C00170
-
-
Thymine
Thymine
ME454367
1135
C00178
-
-
L-Valine
Valine
ME454338
6287
C00183
-
-
L-Threonine
Threonine
ME454334
6288
C00188
-
-
Adenosine
Adenosine
ME454279
60961
C00212
-
-
Guanine
Guanine
ME454311
764
C00242
-
-
Taurine
Taurine
ME454365
1123
C00245
-
-
Palmitic acid
Palmitic acid
ME454351
985
C00249
-
-
Nicotinic acid
Nicotinic acid
ME454345
938
C00253
-
-
Hypoxanthine
Hypoxanthine
ME454316
790
C00262
-
-
Inosine
Inosine
ME454318
6021
C00294
-
-
Quinic acid
Quinic acid
ME454362
6508
C00296
-
-
Creatine
Creatine
ME454295
586
C00300
-
-
L-Carnitine
Carnitine
ME454322
2724480
C00318
-
-
Citrulline
Citrulline
ME454291
9750
C00327
-
-
L-Kynurenine
Kynurenine
ME454327
161166
C00328
-
-
Deoxyguanosine
Deoxyguanosine
ME454298
187790
C00330
-
-
Gamma-Aminobutyric acid
gamma-Aminobutyric acid
ME454305
119
C00334
-
-
Uric acid
Uric acid
ME454373
1175
C00366
-
-
Cytosine
Cytosine
ME454297
597
C00380
-
-
Xanthine
Xanthine
ME454375
1188
C00385
-
-
Carnosine
Carnosine
ME454288
439224
C00386
-
-
Guanosine
Guanosine
ME454312
6802
C00387
-
-
Tryptamine
Tryptamine
ME454370
1150
C00398
-
-
Pipecolic acid
Pipecolic acid
ME454358
849
C00408
-
-
trans-Cinnamic acid
trans-Cinnamic acid
ME454368
444539
C00423
-
-
5-Aminolevulinic acid
5-Amino-levulinic acid
ME454274
137
C00430
-
-
5-Aminopentanoic acid
5-Aminopentanoic acid
ME454275
138
C00431
-
-
D-Lyxose
Lyxose
ME454302
3759
C00476
-
-
Pyridoxamine
Pyridoxamine
ME454360
1052
C00534
-
-
Homogentisic acid
Homogentisic acid
ME454315
780
C00544
-
-
Norepinephrine
Norepinephrine
ME454347
439260
C00547
-
-
Guanidoacetic acid
Guanidoacetic acid
ME454310
763
C00581
-
-
Phosphorylcholine
Choline phosphate
ME454357
1014
C00588
-
-
Phenylacetaldehyde
Phenylacetaldehyde
ME454354
998
C00601
-
-
N-Acetylglutamic acid
N-Acetylglutamic acid
ME454388
185
C00624
-
-
Diaminopimelic acid
Diaminopimelic acid
ME454300
99290
C00666
-
-
Glycerophosphocholine
sn-Glycero-3-phosphocholine
ME454306
71920
C00670
-
-
Cholic acid
Cholic acid
ME454289
221493
C00695
-
-
Oleic acid
Oleic acid
ME454348
445639
C00712
-
-
Betaine
Betaine
ME454286
247
C00719
-
-
Cortisol
Cortisol
ME454293
657311
C00735
-
-
Cortisone
Cortisone
ME454294
225609
C00762
-
-
All-trans-retinoic acid
Retinoic acid
ME454282
444795
C00777
-
-
Urocanic acid
Urocanic acid
ME454374
736715
C00785
-
-
Epinephrine
Epinephrine
ME454304
5816
C00788
-
-
Creatinine
Creatinine
ME454296
588
C00791
-
-
Sphinganine
Sphinganine
ME454363
91486
C00836
-
-
Pantothenic acid
Pantothenic acid
ME454352
988
C00864
-
-
Indoleacetic acid
Indoleacetic acid
ME454317
802
C00954
-
-
Aminoadipic acid
Aminoadipic acid
ME454283
469
C00956
-
-
N-Acetylserotonin
N-Acetylserotonin
ME454342
903
C00978
-
-
Trigonelline
Trigonelline
ME454369
5570
C01004
-
-
4-Hydroxy-L-proline
cis-4-Hydroxyproline
ME454271
69248
C01015
-
-
4-Guanidinobutanoic acid
4-Guanidinobutanoic acid
ME454270
500
C01035
-
-
3-Methylhistidine
3-Methylhistidine
ME454379
64969
C01152
-
-
4-Hydroxyphenylpyruvic acid
4-Hydroxyphenylpyruvic acid
ME454272
979
C01179
-
-
3-(2-Hydroxyphenyl)propanoic acid
3-(2-Hydroxyphenyl)propanoic acid
ME454266
873
C01198
-
-
5-Hydroxylysine
5-Hydroxylysine
ME454380
4433
C01211
-
-
1-Aminocyclopropanecarboxylic acid
1-Aminocyclopropanecarboxylic acid
ME454376
535
C01234
-
-
Anserine
Anserine
ME454284
112072
C01262
-
-
Allantoin
Allantoin
ME454281
204
C01551
-
-
Hippuric acid
Hippuric acid
ME454314
464
C01586
-
-
Lumichrome
Lumichrome
ME454337
5326566
C01727
-
-
L-Norvaline
2S-Aminopentanoic acid
ME454330
7019097
C01826
-
-
Pyroglutamic acid
Pyroglutamic acid
ME454361
7405
C01879
-
-
Glycocholic acid
Glycocholic acid
ME454309
23617285
C01921
-
-
2-Aminophenol
2-Aminophenol
ME454265
-
C01987
-
-
Corticosterone
Corticosterone
ME454292
5753
C02140
-
-
Leukotriene B4
LTB4
ME454323
5280492
C02165
-
-
D-Galactosamine
Galactosamine
ME454299
739
C02262
-
-
Phosphocreatine
Phosphocreatine
ME454356
587
C02305
-
-
1-Methyladenosine
1-Methyladenosine
ME454262
27476
C02494
-
-
Ureidopropionic acid
Ureidopropionic acid
ME454372
111
C02642
-
-
N-Acetylleucine
N-Acetylleucine
ME454340
70912
C02710
-
-
3-Hydroxycapric acid
10-Hydroxydecanoic acid
ME454268
26612
C02774
-
-
Cortisol 21-acetate
Cortisol 21-acetate
ME454381
5744
C02821
-
-
N-acetyltryptophan
N-Acetyl-tryptophan
ME454387
700653
C03137
-
-
N-Acetyl-L-phenylalanine
N-Acetylphenylalanine
ME454341
74839
C03519
-
-
2',4'-Dihydroxyacetophenone
2',4'-Dihydroxyacetophenone
ME454264
6990
C03663
-
-
Dopamine
Dopamine
ME454303
681
C03758
-
-
N,N,N-Trimethyllysine
N-6-Trimethyllysine
ME454391
-
C03793
-
-
N-Acetyl-L-alanine
N-Acetylalanine
ME454339
88064
C04341
-
-
Phenylethylamine
Phenylethylamine
ME454355
1001
C05332
-
-
4-Trimethylammoniobutanoic acid
3-Dehydroxycarnitine
ME454273
134
C05543
-
-
5-Hydroxyindoleacetic acid
5-Hydroxyindoleacetic acid
ME454276
1826
C05635
-
-
3-Methyldioxyindole
3-Methyldioxyindole
ME454269
151066
C05834
-
-
Ortho-Hydroxyphenylacetic acid
-
ME454350
11970
C05852
-
-
Adipic acid
Adipic acid
ME454280
196
C06104
-
-
N-Methyltryptamine
N-Methyltryptamine
ME454346
6088
C06213
-
-
Diethanolamine
Diethanolamine
ME454301
8113
C06772
-
-
Theobromine
Theobromine
ME454366
5429
C07480
-
-
Suberic acid
Suberic acid
ME454364
10457
C08278
-
-
12-Hydroxydodecanoic acid
12-Hydroxy lauric acid
ME454392
79034
C08317
-
-
3-Amino-5-hydroxybenzoic acid
3-Amino-5-hydroxybenzoic acid
ME454267
-
C12107
-
-
N-Alpha-acetyllysine
N(2)-Acetyllysine
ME454343
192590
C12989
-
-
Paraxanthine
Paraxanthine
ME454353
4687
C13747
-
-
Acetylglycine
N-Acetylglycine
ME454390
10972
CA1212
-
-
Indole-3-methyl acetate
Indole-3-methyl acetate
ME454383
74706
CA1213
-
-
2,3-Dihydroxypropyl tetradecanoate
-
ME454263
79050
CA1370
-
-
glyceraldehyde 3-phosphate diethyl acetal
Glyceraldehyde 3-phosphate diethyl acetal
ME454384
-
CA1402
-
-
2-acetomido-deoxy-glucosylamine
-
ME454377
-
CA1416
-
-
2-deoxy-d-glucose
2-Deoxy-glucose
ME454378
-
-
-
-
D-Lactose
Lactose
ME454382
-
-
-
-
Glyceryl monoacetate
-
ME454307
5283468
-
-
-
L-Norleucine
Norleucine
ME454385
-
-
-
-
N-acetyl-aspartic acid
N-Acetylaspartic acid
ME454386
-
-
-
-
N-acetyl-serine
N-Acetylserine
ME454389
-
-
-
-
tetrahydroxy-pregnan-20-one
-
ME454393
-
-
-
-
Analysis: Reversed phase NEGATIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
L-Glutamic acid
Glutamic acid
ME454434
33032
C00025
-
-
Succinic acid
Succinic acid
ME454462
1110
C00042
-
-
L-Aspartic acid
Aspartic acid
ME454432
5960
C00049
-
-
L-Arginine
Arginine
ME454430
6322
C00062
-
-
L-Serine
Serine
ME454442
5951
C00065
-
-
L-Methionine
Methionine
ME454439
6137
C00073
-
-
L-Tryptophan
Tryptophan
ME454443
6305
C00078
-
-
L-Phenylalanine
Phenylalanine
ME454440
6140
C00079
-
-
L-Tyrosine
Tyrosine
ME454444
6057
C00082
-
-
Pyrocatechol
Pyrocatechol
ME454456
289
C00090
-
-
Glucose 6-phosphate
Glucose 6-phosphate
ME454419
5958
C00092
-
-
Uracil
Uracil
ME454467
1174
C00106
-
-
L-Histidine
Histidine
ME454435
6274
C00135
-
-
L-Proline
Proline
ME454441
145742
C00148
-
-
L-Malic acid
Malic acid
ME454438
222656
C00149
-
-
L-Asparagine
Asparagine
ME454431
6267
C00152
-
-
D-Glucuronic acid
Glucuronic acid
ME454413
444791
C00191
-
-
Ketoleucine
Ketoleucine
ME454429
70
C00233
-
-
Guanine
Guanine
ME454422
764
C00242
-
-
Taurine
Taurine
ME454463
1123
C00245
-
-
L-Lactic acid
Lactic acid
ME454437
61503
C00256
-
-
Gluconic acid
Gluconic acid
ME454418
10690
C00257
-
-
Glyceric acid
Glyceric acid
ME454420
439194
C00258
-
-
Hypoxanthine
Hypoxanthine
ME454425
790
C00262
-
-
L-Homoserine
Homoserine
ME454436
12647
C00263
-
-
Alpha-D-Glucose
Glucose
ME454405
79025
C00267
-
-
N-Acetylneuraminate
N-Acetylneuraminic acid
ME454450
3568
C00270
-
-
Inosine
Inosine
ME454427
6021
C00294
-
-
Quinic acid
Quinic acid
ME454458
6508
C00296
-
-
Uridine
Uridine
ME454469
6029
C00299
-
-
Creatine
Creatine
ME454412
586
C00300
-
-
Isocitric acid
Isocitric acid
ME454428
1198
C00311
-
-
Citrulline
Citrulline
ME454411
9750
C00327
-
-
O-Phosphoethanolamine
Phosphoethanolamine
ME454452
1015
C00346
-
-
Malonic acid
Malonic acid
ME454446
867
C00383
-
-
Xanthine
Xanthine
ME454471
1188
C00385
-
-
Carnosine
Carnosine
ME454409
439224
C00386
-
-
Pipecolic acid
Pipecolic acid
ME454455
849
C00408
-
-
L-Cystine
Cystine
ME454433
67678
C00491
-
-
Shikimic acid
Shikimic acid
ME454460
8742
C00493
-
-
ADP-glucose
ADP-glucose
ME454403
16500
C00498
-
-
Homogentisic acid
Homogentisic acid
ME454424
780
C00544
-
-
Benzyl alcohol
Benzyl alcohol
ME454408
244
C00556
-
-
2-Deoxy-D-Glucose
2-Deoxy-glucose
ME454396
82756
C00586
-
-
3-Hydroxybenzoic acid
3-Hydroxybenzoic acid
ME454398
7420
C00587
-
-
3-Sulfinoalanine
3-Sulfino-alanine
ME454401
439270
C00606
-
-
Gentisic acid
Gentisic acid
ME454473
3469
C00628
-
-
p-Hydroxyphenylacetic acid
4-Hydroxyphenylacetic acid
ME454454
127
C00642
-
-
Diaminopimelic acid
Diaminopimelic acid
ME454414
99290
C00666
-
-
Urocanic acid
Urocanic acid
ME454470
736715
C00785
-
-
Citramalic acid
Citramalic acid
ME454410
441696
C00815
-
-
Glucaric acid
Glucaric acid
ME454417
33037
C00818
-
-
Pantothenic acid
Pantothenic acid
ME454453
988
C00864
-
-
Galactaric acid
Galactaric acid
ME454416
3037582
C00879
-
-
Aminoadipic acid
Aminoadipic acid
ME454406
469
C00956
-
-
3-(2-Hydroxyphenyl)propanoic acid
3-(2-Hydroxyphenyl)propanoic acid
ME454397
873
C01198
-
-
trans-Ferulic acid
trans-Ferulic acid
ME454466
445858
C01494
-
-
Allantoin
Allantoin
ME454404
204
C01551
-
-
Hippuric acid
Hippuric acid
ME454423
464
C01586
-
-
Lumichrome
Lumichrome
ME454445
5326566
C01727
-
-
Thyroxine
Thyroxine
ME454464
5819
C01829
-
-
Rosmarinic acid
Rosmarinic acid
ME454459
5281792
C01850
-
-
Pyroglutamic acid
Pyroglutamic acid
ME454457
7405
C01879
-
-
Glycocholic acid
Glycocholic acid
ME454421
23617285
C01921
-
-
Ethylmalonic acid
Ethylmalonic acid
ME454415
11756
C02170
-
-
trans-Aconitic acid
trans-Aconitic acid
ME454465
444212
C02341
-
-
1-Methyladenosine
1-Methyladenosine
ME454395
27476
C02494
-
-
Ureidopropionic acid
Ureidopropionic acid
ME454468
111
C02642
-
-
N-Acetyl-L-methionine
N-Acetylmethionine
ME454448
6180
C02712
-
-
3-Hydroxycapric acid
10-Hydroxydecanoic acid
ME454399
26612
C02774
-
-
4-Acetamidobutanoic acid
4-Acetamidobutanoic acid
ME454402
18189
C02946
-
-
N-acetyltryptophan
N-Acetyl-tryptophan
ME454476
700653
C03137
-
-
Formyl-L-methionyl peptide
N-Formylmethionine
ME454475
-
C03145
-
-
N-Acetyl-L-phenylalanine
N-Acetylphenylalanine
ME454449
74839
C03519
-
-
N6-(delta2-Isopentenyl)-adenine
N6-Isopentenyladenine
ME454447
92180
C04083
-
-
3-Methyldioxyindole
3-Methyldioxyindole
ME454400
151066
C05834
-
-
2-Hydroxybutyric acid
2-Hydroxybutyric acid
ME454472
11266
C05984
-
-
Azelaic acid
Azelaic acid
ME454407
2266
C08261
-
-
Suberic acid
Suberic acid
ME454461
10457
C08278
-
-
12-Hydroxydodecanoic acid
12-Hydroxy lauric acid
ME454394
79034
C08317
-
-
N-Alpha-acetyllysine
N(2)-Acetyllysine
ME454451
192590
C12989
-
-
3-Hydroxy-2-methylglutarate
-
ME454474
20070700
CA1192
-
-
Acetylglycine
N-Acetylglycine
ME454478
10972
CA1212
-
-
N-Acetylserine
N-Acetylserine
ME454477
65249
CA1449
-
-
Indoxyl sulfate
Indoxyl sulfate
ME454426
10258
-
-
-
Analysis: HILIC POSITIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
L-Glutamic acid
Glutamic acid
ME454530
33032
C00025
-
-
Glycine
Glycine
ME454513
750
C00037
-
-
L-Alanine
Alanine
ME454525
5950
C00041
-
-
Succinic acid
Succinic acid
ME454564
1110
C00042
-
-
L-Lysine
Lysine
ME454536
5962
C00047
-
-
L-Arginine
Arginine
ME454527
6322
C00062
-
-
L-Glutamine
Glutamine
ME454531
5961
C00064
-
-
L-Serine
Serine
ME454541
5951
C00065
-
-
L-Methionine
Methionine
ME454537
6137
C00073
-
-
L-Tryptophan
Tryptophan
ME454543
6305
C00078
-
-
L-Phenylalanine
Phenylalanine
ME454539
6140
C00079
-
-
L-Tyrosine
Tyrosine
ME454544
6057
C00082
-
-
Glycerol 3-phosphate
sn-Glycero-3-phosphate
ME454510
439162
C00093
-
-
Beta-Alanine
beta-Alanine
ME454496
239
C00099
-
-
Uracil
Uracil
ME454571
1174
C00106
-
-
2-Aminobenzoic acid
2-Aminobenzoic acid
ME454483
227
C00108
-
-
L-Histidine
Histidine
ME454532
6274
C00135
-
-
N-Acetyl-D-glucosamine
N-Acetylglucosamine
ME454549
439174
C00140
-
-
L-Proline
Proline
ME454540
145742
C00148
-
-
L-Asparagine
Asparagine
ME454528
6267
C00152
-
-
Niacinamide
Niacinamide
ME454554
936
C00153
-
-
D-Mannose
Mannose
ME454507
18950
C00159
-
-
Phenylpyruvic acid
Phenylpyruvic acid
ME454558
997
C00166
-
-
5'-Methylthioadenosine
5'-Methylthioadenosine
ME454492
439176
C00170
-
-
L-Valine
Valine
ME454546
6287
C00183
-
-
L-Threonine
Threonine
ME454542
6288
C00188
-
-
Ethanolamine
Ethanolamine
ME454508
700
C00189
-
-
Adenosine
Adenosine
ME454493
60961
C00212
-
-
Sarcosine
Sarcosine
ME454562
1088
C00213
-
-
Thymidine
Thymidine
ME454566
5789
C00214
-
-
Guanine
Guanine
ME454515
764
C00242
-
-
Hypoxanthine
Hypoxanthine
ME454520
790
C00262
-
-
L-Homoserine
Homoserine
ME454533
12647
C00263
-
-
Glycoaldehyde dimer
Glycolaldehyde
ME454575
-
C00266
-
-
Inosine
Inosine
ME454523
6021
C00294
-
-
Uridine
Uridine
ME454572
6029
C00299
-
-
Creatine
Creatine
ME454504
586
C00300
-
-
Spermidine
Spermidine
ME454563
1102
C00315
-
-
L-Carnitine
Carnitine
ME454529
2724480
C00318
-
-
Citrulline
Citrulline
ME454503
9750
C00327
-
-
Carnosine
Carnosine
ME454499
439224
C00386
-
-
Guanosine
Guanosine
ME454516
6802
C00387
-
-
Histamine
Histamine
ME454518
774
C00388
-
-
L-Isoleucine
Isoleucine
ME454534
6306
C00407
-
-
Pipecolic acid
Pipecolic acid
ME454559
849
C00408
-
-
trans-Cinnamic acid
trans-Cinnamic acid
ME454567
444539
C00423
-
-
Dihydrouracil
Dihydrouracil
ME454506
649
C00429
-
-
5-Aminolevulinic acid
5-Amino-levulinic acid
ME454489
137
C00430
-
-
Propanal
Propanal
ME454560
527
C00479
-
-
Bilirubin
Bilirubin
ME454497
5280352
C00486
-
-
Homogentisic acid
Homogentisic acid
ME454519
780
C00544
-
-
Trimethylamine
Trimethylamine
ME454569
1146
C00565
-
-
Guanidoacetic acid
Guanidoacetic acid
ME454514
763
C00581
-
-
Glycerophosphocholine
sn-Glycero-3-phosphocholine
ME454511
71920
C00670
-
-
Urocanic acid
Urocanic acid
ME454573
736715
C00785
-
-
4-Hydroxycinnamic acid
cis-p-Coumaric acid
ME454486
637542
C00811
-
-
Citramalic acid
Citramalic acid
ME454502
441696
C00815
-
-
Pantothenic acid
Pantothenic acid
ME454556
988
C00864
-
-
Cinnamaldehyde
Cinnamaldehyde
ME454501
637511
C00903
-
-
Indoleacetic acid
Indoleacetic acid
ME454522
802
C00954
-
-
Tryptophanamide
Tryptophanamide
ME454570
89366
C00977
-
-
N-Acetylserotonin
N-Acetylserotonin
ME454552
903
C00978
-
-
Trigonelline
Trigonelline
ME454568
5570
C01004
-
-
4-Hydroxy-L-proline
cis-4-Hydroxyproline
ME454487
69248
C01015
-
-
N-Acetyl-L-aspartic acid
N-Acetylaspartic acid
ME454550
65065
C01042
-
-
5-Hydroxylysine
5-Hydroxylysine
ME454574
4433
C01211
-
-
Allantoin
Allantoin
ME454494
204
C01551
-
-
Caproic acid
Caproic acid
ME454498
8892
C01585
-
-
Lumichrome
Lumichrome
ME454545
5326566
C01727
-
-
L-Norleucine
Norleucine
ME454538
21236
C01933
-
-
2-Aminophenol
2-Aminophenol
ME454484
-
C01987
-
-
Methylguanidine
Methylguanidine
ME454548
10111
C02294
-
-
5-Methylcytosine
5-Methylcytosine
ME454491
65040
C02376
-
-
Alpha-Tocopherol
alpha-Tocopherol
ME454495
14985
C02477
-
-
1-Methyladenosine
1-Methyladenosine
ME454480
27476
C02494
-
-
Cholesteryl acetate
Cholesteryl acetate
ME454500
6427285
C02530
-
-
17a-Estradiol
Estradiol-17alpha
ME454479
68570
C02537
-
-
L-Acetylcarnitine
CAR 2:0
ME454524
1
C02571
-
-
Lithocholyltaurine
Taurolithocholic acid
ME454535
53477716
C02592
-
-
N-Acetylputrescine
N-Acetylputrescine
ME454551
122356
C02714
-
-
2,6-Dihydroxypyridine
2,6-Dihydroxypyridine
ME454482
-
C03056
-
-
N-acetyltryptophan
N-Acetyl-tryptophan
ME454577
700653
C03137
-
-
1,2-Cyclohexanedione
Cyclohexane-1,2-dione
ME454580
0
C03739
-
-
N,N,N-Trimethyllysine
N-6-Trimethyllysine
ME454579
-
C03793
-
-
4-Heptenal diethyl acetal
4-Heptenal diethyl acetal
ME454485
97750
C04067
-
-
N,N-Dimethylphenethylamine
N,N-Dimethyl-1,4-phenylenediamine
ME454578
86536
C04203
-
-
L-Allothreonine
Allothreonine
ME454526
99289
C05519
-
-
4-Trimethylammoniobutanoic acid
3-Dehydroxycarnitine
ME454488
134
C05543
-
-
5-Hydroxyindoleacetic acid
5-Hydroxyindoleacetic acid
ME454490
1826
C05635
-
-
N-Methyltryptamine
N-Methyltryptamine
ME454555
6088
C06213
-
-
Gamma-Linolenic acid
gamma-Linolenic acid
ME454509
5280933
C06426
-
-
Diethanolamine
Diethanolamine
ME454505
8113
C06772
-
-
Theobromine
Theobromine
ME454565
5429
C07480
-
-
Methyl jasmonate
Methyl jasmonate
ME454547
5367719
C11512
-
-
N-Alpha-acetyllysine
N(2)-Acetyllysine
ME454553
192590
C12989
-
-
Paraxanthine
Paraxanthine
ME454557
4687
C13747
-
-
Heptanoic acid
Heptylic acid
ME454517
8094
C17714
-
-
Salicylamide
Salicylamide
ME454561
5147
CA1193
-
-
Indole-3-methyl acetate
Indole-3-methyl acetate
ME454521
74706
CA1231
-
-
2,3-Dihydroxypropyl tetradecanoate
-
ME454481
79050
CA1370
-
-
Glyceryl monoacetate
-
ME454512
5283468
-
-
-
Mono Methyl gluataric acid
-
ME454576
-
-
-
-
Analysis: HILIC NEGATIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
L-Glutamic acid
Glutamic acid
ME454641
33032
C00025
-
-
Succinic acid
Succinic acid
ME454675
1110
C00042
-
-
L-Arginine
Arginine
ME454638
6322
C00062
-
-
L-Glutamine
Glutamine
ME454642
5961
C00064
-
-
L-Serine
Serine
ME454646
5951
C00065
-
-
Ornithine
Ornithine
ME454659
6262
C00077
-
-
L-Tyrosine
Tyrosine
ME454648
6057
C00082
-
-
Glycerol 3-phosphate
sn-Glycero-3-phosphate
ME454622
439162
C00093
-
-
Uracil
Uracil
ME454681
1174
C00106
-
-
Dihydroxyacetone phosphate
Dihydroxyacetone phosphate
ME454614
668
C00111
-
-
D-Ribose
Ribose
ME454697
5779
C00121
-
-
myo-Inositol
Myo-inositol
ME454655
892
C00137
-
-
L-Asparagine
Asparagine
ME454639
6267
C00152
-
-
4-Hydroxybenzoic acid
4-Hydroxybenzoic acid
ME454594
135
C00156
-
-
D-Mannose
Mannose
ME454616
18950
C00159
-
-
Acetoacetic acid
Acetoacetic acid
ME454596
96
C00164
-
-
Thymine
Thymine
ME454677
1135
C00178
-
-
Benzoic acid
Benzoic acid
ME454601
243
C00180
-
-
D-Xylose
Xylose
ME454700
135191
C00181
-
-
L-Valine
Valine
ME454650
6287
C00183
-
-
L-Threonine
Threonine
ME454647
6288
C00188
-
-
Adenosine
Adenosine
ME454597
60961
C00212
-
-
Sarcosine
Sarcosine
ME454673
1088
C00213
-
-
Protocatechuic acid
Protocatechuic acid
ME454669
72
C00230
-
-
Ketoleucine
Ketoleucine
ME454635
70
C00233
-
-
Guanine
Guanine
ME454623
764
C00242
-
-
Butyric acid
Butyric acid
ME454603
264
C00246
-
-
L-Lactic acid
Lactic acid
ME454645
61503
C00256
-
-
Gluconic acid
Gluconic acid
ME454620
10690
C00257
-
-
L-Homoserine
Homoserine
ME454643
12647
C00263
-
-
Alpha-D-Glucose
Glucose
ME454599
79025
C00267
-
-
Inosine
Inosine
ME454633
6021
C00294
-
-
Orotic acid
Orotic acid
ME454660
967
C00295
-
-
Citrulline
Citrulline
ME454609
9750
C00327
-
-
Deoxyguanosine
Deoxyguanosine
ME454613
187790
C00330
-
-
Uric acid
Uric acid
ME454683
1175
C00366
-
-
D-Xylitol
Xylitol
ME454704
6912
C00379
-
-
Xanthine
Xanthine
ME454685
1188
C00385
-
-
Mannitol
Mannitol
ME454651
6251
C00392
-
-
trans-Cinnamic acid
trans-Cinnamic acid
ME454678
444539
C00423
-
-
Ribitol
Ribitol
ME454672
6912
C00474
-
-
D-Lyxose
Lyxose
ME454615
3759
C00476
-
-
Glutaric acid
Glutaric acid
ME454621
743
C00489
-
-
Hypotaurine
Hypotaurine
ME454629
107812
C00519
-
-
Hydroquinone
Hydroquinone
ME454627
785
C00530
-
-
L-Arabitol
L-Arabitol
ME454637
439255
C00532
-
-
Homogentisic acid
Homogentisic acid
ME454625
780
C00544
-
-
Benzyl alcohol
Benzyl alcohol
ME454602
244
C00556
-
-
3-Hydroxybenzoic acid
3-Hydroxybenzoic acid
ME454588
7420
C00587
-
-
Phenylacetaldehyde
Phenylacetaldehyde
ME454665
998
C00601
-
-
Gentisic acid
Gentisic acid
ME454687
3469
C00628
-
-
4-Hydroxybenzaldehyde
4-Hydroxybenzaldehyde
ME454689
126
C00633
-
-
p-Hydroxyphenylacetic acid
4-Hydroxyphenylacetic acid
ME454667
127
C00642
-
-
Cholic acid
Cholic acid
ME454608
221493
C00695
-
-
Cortisone
Cortisone
ME454610
225609
C00762
-
-
Urocanic acid
Urocanic acid
ME454684
736715
C00785
-
-
Sorbitol
Sorbitol
ME454698
5780
C00794
-
-
D-Tagatose
D-Tagatose
ME454699
92092
C00795
-
-
Pantothenic acid
Pantothenic acid
ME454662
988
C00864
-
-
Deoxycytidine
Deoxycytidine
ME454612
13711
C00881
-
-
Indoleacetic acid
Indoleacetic acid
ME454631
802
C00954
-
-
Tryptophanol
Tryptophanol
ME454680
10685
C00955
-
-
D-Galactose
Galactose
ME454696
439357
C00984
-
-
3,4-Dihydroxybenzeneacetic acid
3,4-Dihydroxybenzeneacetic acid
ME454586
547
C01161
-
-
3-(2-Hydroxyphenyl)propanoic acid
3-(2-Hydroxyphenyl)propanoic acid
ME454585
873
C01198
-
-
Caffeic acid
Caffeic acid
ME454604
1549111
C01481
-
-
Allose
Allose
ME454693
12285879
C01487
-
-
trans-Ferulic acid
trans-Ferulic acid
ME454679
445858
C01494
-
-
Caproic acid
Caproic acid
ME454605
8892
C01585
-
-
Hippuric acid
Hippuric acid
ME454624
464
C01586
-
-
Pelargonic acid
Pelargonic acid
ME454663
8158
C01601
-
-
Galactitol
Galactitol
ME454619
11850
C01697
-
-
Elaidic acid
Elaidic acid
ME454617
637517
C01712
-
-
Lumichrome
Lumichrome
ME454649
5326566
C01727
-
-
Xanthosine
Xanthosine
ME454686
64959
C01762
-
-
2-Aminophenol
2-Aminophenol
ME454584
-
C01987
-
-
Leukotriene B4
LTB4
ME454640
5280492
C02165
-
-
Ethylmalonic acid
Ethylmalonic acid
ME454618
11756
C02170
-
-
Methylmalonic acid
Methylmalonic acid
ME454654
487
C02170
-
-
D-Fructose
Fructose
ME454695
439709
C02336
-
-
L-Arabinose
Lyxose
ME454694
439195
C02479
-
-
Chenodeoxycholic acid
Chenodeoxycholic acid
ME454607
10133
C02528
-
-
Lithocholyltaurine
Taurolithocholic acid
ME454644
53477716
C02592
-
-
Isobutyric acid
Isobutyric acid
ME454634
6590
C02632
-
-
Ureidopropionic acid
Ureidopropionic acid
ME454682
111
C02642
-
-
Pimelic acid
Pimelic acid
ME454668
385
C02656
-
-
N-Acetylleucine
N-Acetylleucine
ME454657
70912
C02710
-
-
3-Hydroxycapric acid
10-Hydroxydecanoic acid
ME454589
26612
C02774
-
-
Imidazoleacetic acid
Imidazoleacetic acid
ME454630
96215
C02835
-
-
4-Acetamidobutanoic acid
4-Acetamidobutanoic acid
ME454592
18189
C02946
-
-
1-Hydroxy-2-naphthoate
1-Hydroxy-2-naphthoate
ME454582
54675865
C03203
-
-
N-Acetyl-L-phenylalanine
N-Acetylphenylalanine
ME454658
74839
C03519
-
-
Methyl beta-D-glucopyranoside
Methyl glucose
ME454652
2108
C03619
-
-
2',4'-Dihydroxyacetophenone
2',4'-Dihydroxyacetophenone
ME454583
6990
C03663
-
-
Hydroxyphenyllactic acid
Hydroxyphenyllactic acid
ME454628
9378
C03672
-
-
3-Hydroxymethylglutaric acid
3-Hydroxymethylglutaric acid
ME454590
1662
C03761
-
-
4-Heptenal diethyl acetal
4-Heptenal diethyl acetal
ME454593
97750
C04067
-
-
N6-(delta2-Isopentenyl)-adenine
N6-Isopentenyladenine
ME454656
92180
C04083
-
-
Deoxycholic acid
Deoxycholic acid
ME454611
222528
C04483
-
-
3-Aminoisobutanoic acid
3-Aminoisobutanoic acid
ME454587
64956
C05145
-
-
L-Allothreonine
Allothreonine
ME454636
99289
C05519
-
-
Homovanillic acid
Homovanillic acid
ME454626
1738
C05582
-
-
3-Hydroxyphenylacetic acid
3-Hydroxyphenylacetic acid
ME454690
12122
C05593
-
-
5-Hydroxyindoleacetic acid
5-Hydroxyindoleacetic acid
ME454595
1826
C05635
-
-
3-Methyldioxyindole
3-Methyldioxyindole
ME454591
151066
C05834
-
-
Ortho-Hydroxyphenylacetic acid
-
ME454661
11970
C05852
-
-
Adipic acid
Adipic acid
ME454598
196
C06104
-
-
1,2-Cyclohexanedione
Cyclohexane-1,2-dione
ME454703
0
C06105
-
-
Quinaldic acid
Quinaldic acid
ME454670
7124
C06325
-
-
Caprylic acid
Caprylic acid
ME454606
379
C06423
-
-
Phenylacetic acid
Phenylacetic acid
ME454666
999
C07086
-
-
Theophylline
Theophylline
ME454676
2153
C07130
-
-
Azelaic acid
Azelaic acid
ME454600
2266
C08261
-
-
Suberic acid
Suberic acid
ME454674
10457
C08278
-
-
12-Hydroxydodecanoic acid
12-Hydroxy lauric acid
ME454581
79034
C08317
-
-
L-Sorbose
Sorbose
ME454701
441484
C08356
-
-
Petroselinic acid
6-Octadecylenic acid
ME454664
5461010
C08363
-
-
Methyl jasmonate
Methyl jasmonate
ME454653
5367719
C11512
-
-
Resorcinol monoacetate
Resorcinol monoacetate
ME454671
-
C12064
-
-
3-alpha,11-beta,17-alpha,21-tetrahydroxy- 5-alpha-...
Tetrahydrocortisol
ME454688
-
NA
-
-
3alpha.12alpha-dihydroxy-5beta-cholanate
Deoxycholic acid
ME454692
-
NA
-
-
3-methyglutaric acid
Methylglutaric acid
ME454691
-
NA
-
-
mono methyl glutarate
Monomethyl glutaric acid
ME454702
-
NA
-
-
Indoxyl sulfate
Indoxyl sulfate
ME454632
10258
-
-
-
UCSD Metabolomics Workbench, a resource sponsored by the Common Fund of the National Institutes of Health
Terms of use
Site map
Contact
NMDR Personnel