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