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Return to study ST000919 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
3-HYDROXYANTHRANILIC ACID
3-Hydroxyanthranilic acid
ME232336
86
-
5.23
154.0498
3-HYDROXYKYNURENINE
Hydroxykynurenine
ME232337
89
-
3.08
225.0868
3-(Hydroxyphenyl) Propionic Acid
3-(3-Hydroxyphenyl)propanoic acid
ME232335
91
-
6.04
167.0702
3-UREIDOPROPIONATE
Ureidopropionic acid
ME232338
111
-
1.18
133.0607
4-AMINOBUTANOATE (GABA)
gamma-Aminobutyric acid
ME232339
119
-
0.79
104.0707
5-AMINOLEVULINIC ACID_R1
5-Amino-levulinic acid
ME232343
137
-
0.74
132.0655
5-AMINOLEVULINIC ACID_R2
5-Amino-levulinic acid
ME232344
137
-
0.94
132.0656
5-HYDROXY-L-TRYPTOPHAN_R1
5-Hydroxy-tryptophan
ME232345
144
-
6.72
221.0918
5-HYDROXY-L-TRYPTOPHAN_R2
5-Hydroxy-tryptophan
ME232346
144
-
6.85
221.0919
ADENINE
Adenine
ME232359
190
-
1.42
136.0617
Anthranilate
2-Aminobenzoic acid
ME232362
227
-
8.59
120.0445
HIPPURATE
Hippuric acid
ME232399
464
-
7.49
180.0647
Hippuric Acid
Hippuric acid
ME232400
464
-
7.90
180.0653
4-GUANIDINOBUTANOATE
4-Guanidinobutanoic acid
ME232340
500
-
1.54
146.0924
CREATINE_R1
Creatine
ME232378
586
-
1.11
132.0769
CREATINE_R2
Creatine
ME232379
586
-
0.88
132.0767
CREATININE
Creatinine
ME232381
588
-
0.90
114.0663
5,6-DIHYDROURACIL
Dihydrouracil
ME232342
649
-
1.27
115.0503
BUTYROBETAINE
3-Dehydroxycarnitine
ME232368
725
C01181
1.19
146.1175
GLYCEROL
Glycerol
ME232389
753
-
0.78
115.0372
HOMOCYSTEINE
Homocysteine
ME232401
778
-
0.88
136.0426
HYPOXANTHINE
Hypoxanthine
ME232403
790
-
1.96
137.0459
Methionine Sulfoxide
Methionine sulfoxide
ME232440
847
-
0.77
166.0532
L-LEUCINE
Leucine
ME232415
857
-
2.33
132.1020
Formylkynurenine
N-Formyl-L-kynurenine
ME232387
910
-
10.66
237.0868
NICOTINAMIDE
Niacinamide
ME232457
936
-
1.58
123.0554
PYRIDOXAL
Pyridoxal
ME232468
1050
-
1.82
168.0654
SUCCINATE
Succinic acid
ME232475
1110
-
2.19
141.0160
TAURINE
Taurine
ME232476
1123
-
0.71
126.0220
Tetrahydrothiophene-1-oxide
Tetrahydrothiophene-1-oxide
ME232479
1128
-
2.20
105.0369
URATE
Uric acid
ME232484
1175
-
1.77
169.0356
Acetaminophen/Paracetamol
Acetaminophen
ME232354
1983
-
6.85
152.0705
Kynurenic Acid
Kynurenic acid
ME232407
3845
-
7.68
190.0498
SEROTONIN
Serotonin
ME232470
5202
-
6.85
177.1021
SEROTONIN-NH3
Serotonin
ME232471
5202
-
6.83
160.0756
Xanthurenic Acid
Xanthurenic acid
ME232490
5699
-
7.47
206.0449
L-SERINE
Serine
ME232422
5951
-
0.70
106.0499
L-GLUTAMINE
Glutamine
ME232410
5961
-
0.72
147.0763
URIDINE
Uridine
ME232485
6029
-
2.71
267.0585
2-AMINO-2-METHYLPROPANOATE
Aminoisobutyric acid
ME232333
6119
-
1.04
104.0707
L-METHIONINE_R1
Methionine
ME232418
6137
-
1.69
150.0584
L-METHIONINE_R2
Methionine
ME232419
6137
-
1.34
150.0584
Phenylalanine
Phenylalanine
ME232464
6140
-
6.11
166.0862
L-HISTIDINE
Histidine
ME232411
6274
-
0.71
156.0767
Tryptophan
Tryptophan
ME232481
6305
-
7.60
205.0972
L-Isoleucine
Isoleucine
ME232412
6306
-
2.07
132.1019
L-ARGININE
Arginine
ME232408
6322
-
0.71
175.1189
Pantothenic Acid
Pantothenic acid
ME232463
6613
-
6.60
220.1176
6-Quinolincarboxylic Acid
1-Nitronaphthalene
ME232353
6849
-
7.88
174.0550
Pyroglutamic Acid
Pyroglutamic acid
ME232469
7405
-
1.73
130.0500
CITRULLINE
Citrulline
ME232377
9750
-
0.77
176.1029
GLYCOCHOLATE
Glycocholic acid
ME232390
10140
-
9.89
466.3161
Hydroxyhippuric acid
Hydroxyhippuric acid
ME232402
10253
-
7.91
196.0393
L-CARNITINE
Carnitine
ME232409
10917
-
0.91
162.1124
N-ACETYLGLYCINE
N-Acetylglycine
ME232446
10972
-
1.16
140.0321
Diphenylamine
Diphenylamine
ME232383
11487
-
13.65
170.0965
N-METHYL-D-ASPARTIC ACID
N-Methyl-D-aspartic acid
ME232459
22880
-
0.75
148.0603
N-Methylnicotinamide
N-Methylnicotinamide
ME232460
64950
-
0.87
137.0709
N(PAI)-METHYL-L-HISTIDINE
3-Methylhistidine
ME232443
64969
-
0.73
170.0922
5-METHYLCYTOSINE HYDROCLORIDE
5-Methylcytosine
ME232349
65040
-
1.08
126.0665
N-ACETYL-L-ASPARTIC ACID_R1
N-Acetylaspartic acid
ME232447
65065
-
1.55
176.0554
N-ACETYL-L-ASPARTIC ACID_R2
N-Acetylaspartic acid
ME232448
65065
-
1.39
176.0554
N-Acetyl-Arginine
N-Acetylarginine
ME232445
67427
-
1.53
217.1294
METHYL INDOLE-3-ACETATE
Indole-3-methyl acetate
ME232441
74706
-
10.53
190.0861
Glycyl-L-leucine
Gly-Leu
ME232398
92843
-
6.75
189.1233
N-ALPHA-ACETYL-L-LYSINE
N(2)-Acetyllysine
ME232450
92907
-
1.21
189.1233
4-IMIDAZOLEACETIC ACID
Imidazoleacetic acid
ME232341
96215
-
0.93
127.0500
O-ACETYL-L-SERINE
O-Acetylserine
ME232461
99478
-
1.04
148.0604
Proprionylcarnitine
CAR DC3:0
ME232466
107738
-
6.60
218.1386
Stachydrine
Stachydrine
ME232474
115244
-
1.13
144.1019
N-ACETYLPUTRESCINE
N-Acetylputrescine
ME232449
122356
-
1.08
131.1178
L-PROLINE
Proline
ME232421
145742
-
0.83
116.0707
L-KYNURENINE
Kynurenine
ME232413
161166
-
6.42
209.0920
Dodecanoylcarnitine_R1
CAR 12:0
ME232384
168381
-
12.55
344.2790
Dodecanoylcarnitine_R2
CAR 12:0
ME232385
168381
-
12.81
344.2789
Isovalerylcarnitine_R1
CAR 4:0;3Me
ME232405
169235
-
7.97
246.1698
Isovalerylcarnitine_R2
CAR 4:0;3Me
ME232406
169235
-
8.09
246.1698
5-Hydroxymethyl-2-furaldehyde
5-Hydroxymethyl-2-furancarboxaldehyde
ME232347
237332
-
0.74
127.0390
PIPECOLATE/L-PIPECOLIC ACID
Pipecolic acid
ME232465
439227
-
1.22
130.0864
LL-2,6-DIAMINOHEPTANEDIOATE
2,6-Diaminopimelic acid
ME232414
439283
-
0.86
191.1024
NEPSILON,NEPSILON,NEPSILON-TRIMETHYLLYSINE
N-6-Trimethyllysine
ME232456
440120
-
0.72
189.1596
Formyl-5-hydroxykynurenamine
Formyl-5-hydroxykynurenamine
ME232386
440743
-
11.12
209.0919
5-Hydroxy-N-formylkynurenine
5-Hydroxy-N-formylkynurenine
ME232348
440744
-
11.12
253.0816
N1-Methyl-4-pyridone-5-carboxamide
N1-Methyl-4-pyridone-3-carboxamide
ME232444
440810
-
4.84
153.0658
Pulegone
Pulegone
ME232467
442495
-
6.57
153.1274
LysoPC (16:0)_R1
LPC 16:0
ME232425
460602
-
13.53
496.3394
LysoPC (16:0)_R2
LPC 16:0
ME232426
460602
-
13.69
496.3395
BOC-D-Phenylalanine
-
ME232365
637610
-
11.40
166.0862
UROCANATE_R1
Urocanic acid
ME232486
736715
-
2.06
139.0501
UROCANATE_R2
Urocanic acid
ME232487
736715
-
1.90
139.0502
N-BOC-L-tert-Leucine
-
ME232453
2734668
-
10.85
132.1018
Sphingosine (d18:1)
Sphingosine
ME232473
5280335
-
13.54
300.2895
Myristoylcarnitine
CAR 14:0
ME232442
6426854
-
14.08
372.3101
2-Hydroxyphenylalanine
2-Hydroxy-L-Phenylalanine
ME232334
6950574
-
3.22
182.0812
LysoPE (18:1)_R1
LPE 18:1
ME232434
9547071
-
13.50
480.3085
LysoPE (18:1)_R2
LPE 18:1
ME232435
9547071
-
13.64
480.3085
Isobutyrylcarnitine
CAR 3:0;2Me
ME232404
10177002
-
7.36
232.1542
Decanoylcarnitine
CAR 10:0
ME232382
10245190
-
11.61
316.2479
Octanoylcarnitine
CAR 8:0
ME232462
11953814
-
10.38
288.2166
Caffeine-D3
Caffeine
ME232370
13001298
-
7.88
198.1062
L-Leucine-D10
Leucine
ME232417
16213587
-
2.31
142.1647
LysoPC (16:1)_R1
LPC 16:1
ME232427
24779461
-
12.72
494.3238
LysoPC (16:1)_R2
LPC 16:1
ME232428
24779461
-
12.88
494.3238
2,6-Dimethylheptanoyl Carnitine_R1
CAR 7:0;2Me,6Me
ME232331
53477823
-
10.75
302.2322
2,6-Dimethylheptanoyl Carnitine_R2
CAR 7:0;2Me,6Me
ME232332
53477823
-
10.60
302.2322
6C-SUGAR ALCOHOL
-
ME232350
-
-
0.71
205.0679
6-DEOXY-HEXOSE_R1
-
ME232351
-
-
1.06
187.0579
6-DEOXY-HEXOSE_R2
-
ME232352
-
-
0.81
187.0576
Acyl-Carnitine(2:0)
CAR 2:0
ME232355
-
-
3.83
204.1230
Acyl-Carnitine(4-OH)_R1
CAR 4:0;OH
ME232356
-
-
5.40
248.1490
Acyl-Carnitine(4-OH)_R2
CAR 4:0;OH
ME232357
-
-
5.29
248.1490
Acyl-Carnitine(5-OH)
CAR 5:0;OH
ME232358
-
-
6.62
262.1647
ALDO/KETO-HEXOSE
Hexose
ME232360
-
-
0.72
203.0524
ALPHA-AMINOADIPATE/N-METHYL-L-GLUTAMATE
-
ME232361
-
-
0.86
162.0760
ANTHRANILATE/4-AMINOBENZOATE_R1
-
ME232363
-
-
8.05
138.0550
ANTHRANILATE/4-AMINOBENZOATE_R2
-
ME232364
-
-
7.82
138.0550
BOC-L-Tyrosine_R1
Tyrosine
ME232366
-
-
-
304.1152
BOC-L-Tyrosine_R2
Tyrosine
ME232367
-
-
-
182.0812
C5-SUGAR ALCOHOL
Dihydroxyquinoline
ME232369
-
-
0.72
175.0580
Chenodeoxycholic Acid (CDCA)_R1
Chenodeoxycholic acid
ME232371
-
-
12.36
375.2891
Chenodeoxycholic Acid (CDCA)_R2
Chenodeoxycholic acid
ME232372
-
-
12.37
357.2784
Chenodeoxycholyglycine (GCDCA)
Glycochenodeoxycholic acid
ME232373
-
-
11.41
450.3211
Cholic Acid_R1
Cholic acid
ME232374
-
-
11.16
426.3209
Cholic Acid_R2
Cholic acid
ME232375
-
-
11.40
373.2735
Cholic Acid_R3
Cholic acid
ME232376
-
-
11.17
373.2734
Creatine-D3
Creatine
ME232380
-
-
0.88
135.0955
GLUCOSAMINE/MANNOSAMINE
-
ME232388
-
-
0.73
180.0864
Glycocholic Acid (GCA)_R1
Glycocholic acid
ME232391
-
-
10.47
430.2950
Glycocholic Acid (GCA)_R2
Glycocholic acid
ME232392
-
-
10.46
466.3162
Glycodeoxycholic acid (GDCA)_R1
Glycodeoxycholic acid
ME232393
-
-
11.31
414.2998
Glycodeoxycholic acid (GDCA)_R2
Glycodeoxycholic acid
ME232394
-
-
11.31
432.3106
Glycoursodeoxycholic acid (G-UDCA)_R1
Glycoursodeoxycholic acid
ME232395
-
-
10.62
450.3211
Glycoursodeoxycholic acid (G-UDCA)_R2
Glycoursodeoxycholic acid
ME232396
-
-
10.60
414.2998
Glycoursodeoxycholic acid (G-UDCA)_R3
Glycoursodeoxycholic acid
ME232397
-
-
10.62
432.3106
L-Leucine 13C6
Leucine
ME232416
-
-
2.34
138.1221
L-Phenylalanine 13C6
Phenylalanine
ME232420
-
-
6.11
172.1064
L-Tyrosine 13C6
Tyrosine
ME232423
-
-
3.22
188.1011
L-VALINE/5-AMINOPENTANOATE/L-NORVALINE
-
ME232424
-
-
1.16
118.0863
LysoPC (18:0)
LPC 18:0
ME232429
-
-
14.89
524.3706
LysoPC (18:2)_R1
LPC 18:2
ME232430
-
-
13.06
520.3395
LysoPC (18:2)_R2
LPC 18:2
ME232431
-
-
13.19
520.3395
LysoPE (18:0)_R1
LPE 18:0
ME232432
-
-
14.36
482.3241
LysoPE (18:0)_R2
LPE 18:0
ME232433
-
-
14.50
482.3239
LysoPE (20:4)_R1
LPE 20:4
ME232436
-
-
12.92
502.2926
LysoPE (20:4)_R2
LPE 20:4
ME232437
-
-
13.03
502.2925
LysoPE (22:6)_R1
LPE 22:6
ME232438
-
-
12.87
526.2926
LysoPE (22:6)_R2
LPE 22:6
ME232439
-
-
13.02
526.2926
N-BOC-L-Aspartic Acid_R1
Aspartic acid
ME232451
-
-
-
256.0788
N-BOC-L-Aspartic Acid_R2
Aspartic acid
ME232452
-
-
-
134.0448
N-BOC-L-Tryptophan_R1
Tryptophan
ME232454
-
-
-
327.1310
N-BOC-L-Tryptophan_R2
Tryptophan
ME232455
-
-
-
205.0971
NICOTINAMIDE-N-OXIDE
Nicotinamide N-oxide
ME232458
-
-
1.52
139.0502
Source Fragment TRP
-
ME232472
-
-
7.60
118.0652
Taurochenodesoxycholic acid (T-CDCA)_R1
Taurochenodeoxycholic acid
ME232477
-
-
10.66
500.3038
Taurochenodesoxycholic acid (T-CDCA)_R2
Taurochenodeoxycholic acid
ME232478
-
-
10.54
464.2824
THREONINE/HOMOSERINE
Threonine/Homoserine
ME232480
-
-
0.72
120.0656
Tryptophan-2,3,3-D3
Tryptophan
ME232482
-
-
7.60
208.1159
Tryptophan-NH3
Tryptophan
ME232483
-
-
7.60
188.0706
Ursodeoxycholic Acid (UDCA)_R1
Ursodeoxycholic acid
ME232488
-
-
11.51
375.2888
Ursodeoxycholic Acid (UDCA)_R2
Ursodeoxycholic acid
ME232489
-
-
11.49
357.2781
Analysis: Reversed phase NEGATIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
3-METHYL-2-OXOVALERIC ACID
3-Methyl-2-oxovaleric acid
ME232501
47
-
6.66
129.0557
ALPHA-KETOGLUTARIC ACID
2-Oxoglutaric acid
ME232519
51
-
1.04
145.0141
4-METHYL-2-OXO-PENTANOIC ACID
Ketoleucine
ME232507
70
-
7.26
129.0557
3-UREIDOPROPIONATE
Ureidopropionic acid
ME232503
111
-
1.22
131.0459
4-Hydroxyphenylacetate
4-Hydroxyphenyl acetate
ME232506
127
-
8.27
151.0399
5-AMINOLEVULINIC ACID
5-Amino-levulinic acid
ME232509
137
-
0.82
130.0508
5-HYDROXY-L-TRYPTOPHAN_R1
5-Hydroxy-tryptophan
ME232511
144
-
6.14
219.0784
5-HYDROXY-L-TRYPTOPHAN_R2
5-Hydroxy-tryptophan
ME232512
144
-
6.86
219.0773
ALLANTOIN
Allantoin
ME232517
204
-
0.80
157.0365
ANTHRANILATE
2-Aminobenzoic acid
ME232520
227
-
7.93
136.0403
CATECHOL
Pyrocatechol
ME232531
289
-
6.95
109.0293
CITRATE
Citric acid
ME232538
311
-
1.75
191.0195
4-GUANIDINOBUTANOATE
4-Guanidinobutanoic acid
ME232504
500
-
1.56
144.0777
CREATINE
Creatine
ME232541
586
-
0.88
130.0621
LACTATE
Lactic acid
ME232567
612
-
1.17
89.0237
GLYCOLATE
Glycolic acid
ME232558
757
-
0.84
75.0081
HYPOXANTHINE
Hypoxanthine
ME232562
790
-
1.98
135.0309
INDOLE-3-ACETATE
Indoleacetic acid
ME232563
802
-
9.12
174.0559
3-(2-HYDROXYPHENYL)PROPANOATE
3-(2-Hydroxyphenyl)propanoic acid
ME232495
873
-
8.73
165.0556
PYRIDOXAL
Pyridoxal
ME232610
1050
-
2.05
166.0507
CITRAMALATE
Citramalic acid
ME232537
1081
-
2.18
147.0298
SUCCINATE
Succinic acid
ME232616
1110
-
2.22
117.0192
TAURINE
Taurine
ME232620
1123
-
0.71
124.0072
URATE
Uric acid
ME232627
1175
-
1.79
167.0208
XANTHINE
Xanthine
ME232631
1188
-
2.43
151.0259
ISOCITRIC ACID
Isocitric acid
ME232565
1198
-
1.10
191.0196
2,4-Dinitrophenol (herbicide)
2,4-Dinitrophenol
ME232492
1493
-
11.00
183.0045
5-hydroxyindoleacetic acid
5-Hydroxyindoleacetic acid
ME232510
1826
-
6.43
190.0507
AZELAIC ACID
Azelaic acid
ME232524
2266
-
8.62
187.0974
Kynurenic Acid
Kynurenic acid
ME232566
3845
-
7.67
188.0351
4-Hydroxybenzenesulfonic Acid
4-Hydroxybenzenesulfonic acid
ME232505
4765
-
7.05
172.9912
Salicylamide
Salicylamide
ME232611
5147
-
9.15
136.0403
Xanthurenic Acid
Xanthurenic acid
ME232632
5699
-
7.46
204.0299
GLUCOSE/FRUCTOSE_R1
Hexose
ME232550
5793
-
0.73
217.0294
L-SERINE
Serine
ME232580
5951
-
0.73
104.0350
L-GLUTAMINE
Glutamine
ME232572
5961
-
0.73
145.0617
URIDINE
Uridine
ME232628
6029
-
2.74
243.0619
EDTA
Edetic acid
ME232545
6049
-
0.96
291.0832
L-METHIONINE
Methionine
ME232578
6137
-
1.34
148.0436
Mannitol
Mannitol
ME232591
6251
-
0.82
181.0715
L-HISTIDINE
Histidine
ME232573
6274
-
0.73
154.0621
L-VALINE
Valine
ME232582
6287
-
1.08
116.0716
Tryptophan
Tryptophan
ME232626
6305
-
7.59
203.0825
L-ISOLEUCINE
Isoleucine
ME232575
6306
-
2.32
130.0872
SHIKIMATE
Shikimic acid
ME232614
8742
-
1.32
173.0454
3-(4-HYDROXYPHENYL)LACTATE
Hydroxyphenyllactic acid
ME232496
9378
-
6.94
181.0505
CITRULLINE
Citrulline
ME232540
9750
-
0.77
174.0882
GLYCOCHOLATE_R1
Glycocholic acid
ME232554
10140
-
9.77
464.3014
GLYCOCHOLATE_R2
Glycocholic acid
ME232555
10140
-
9.90
464.3014
2-Hydroxyhippuric acid
Salicyluric acid
ME232494
10253
-
7.26
194.0457
L-CARNITINE
Carnitine
ME232569
10917
-
0.91
196.0744
N-ACETYLGLYCINE
N-Acetylglycine
ME232596
10972
-
1.16
116.0352
2-HYDROXY-4-(METHYLTHIO)BUTYRIC ACID
2-Hydroxy-4-(methylthio)butanoic acid
ME232493
11427
-
6.55
149.0265
ALPHA-HYDROXYISOBUTYRIC ACID
2-Hydroxyisobutyric acid
ME232518
11671
-
2.42
103.0397
6-Hydroxycaproic acid_R1
6-Hydroxycaproic acid
ME232513
14490
-
7.79
131.0713
6-Hydroxycaproic acid_R2
6-Hydroxycaproic acid
ME232514
14490
-
7.91
131.0713
Mono-(2-Ethylhexyl) Phthalate Dimer
Monoethylhexyl phthalic acid
ME232593
20393
-
13.67
540.3302
3-Hydroxydecanoic acid
3-Hydroxydecanoic acid
ME232500
26612
-
11.29
187.1338
L-GLUTAMIC ACID
Glutamic acid
ME232571
33032
-
0.76
146.0458
N-FORMYLGLYCINE
N-Formylglycine
ME232605
75606
-
0.96
102.0194
ASPARTATE
Aspartic acid
ME232523
83887
-
0.79
132.0301
INDOXYL SULFATE
Indoxyl sulfate
ME232564
92769
-
7.78
212.0022
MALATE
Malic acid
ME232590
92824
-
1.16
133.0142
NALPHA-ACETYL-L-LYSINE
N(2)-Acetyllysine
ME232597
92907
-
1.23
187.1086
METHYL BETA-D-GALACTOSIDE
Methyl beta-D-galactoside
ME232592
94214
-
1.12
193.0725
4-oxoproline
4-Oxo-proline
ME232508
107541
-
1.69
128.0353
L-Cysteine-S-Sulfate
Cysteine-S-sulfate
ME232570
115015
-
0.78
199.9689
Testosterone sulfate
Testosterone sulfate
ME232624
119207
-
10.62
367.1581
Sulfoacetaldehyde
Sulfoacetaldehyde
ME232618
160226
-
0.83
122.9757
3,4-Dihydroxybenzenesulfonic Acid_R1
3,4-Dihydroxybenzenesulfonic acid
ME232497
189003
-
6.79
188.9862
3,4-Dihydroxybenzenesulfonic Acid_R2
3,4-Dihydroxybenzenesulfonic acid
ME232498
189003
-
6.59
188.9862
CHOLATE
Cholic acid
ME232534
221493
-
10.46
407.2795
ERYTHRITOL
Erythritol
ME232547
222285
-
0.97
157.0259
DEOXYCHOLATE
Deoxycholic acid
ME232542
222528
-
11.70
391.2849
3,4-Dihydroxyphenyl propionic acid
3,4-Dihydroxyhydrocinnamic acid
ME232499
348154
-
7.89
181.0602
N-ACETYL-DL-SERINE
N-Acetylserine
ME232594
352294
-
1.06
146.0457
GLYCERIC ACID_R1
Glyceric acid
ME232552
439194
-
0.90
105.0190
GLYCERIC ACID_R2
Glyceric acid
ME232553
439194
-
0.80
105.0188
N-ACETYL-D-MANNOSAMINE
N-Acetyl-mannosamine
ME232595
439281
-
0.77
256.0592
LL-2,6-DIAMINOHEPTANEDIOATE
2,6-Diaminopimelic acid
ME232576
439283
-
0.82
189.0880
N-METHYL-L-GLUTAMATE
N-Methyl-glutamic acid
ME232606
439377
-
0.80
160.0614
N-AMIDINO-L-ASPARTATE
Guanidinosuccinic acid
ME232598
439918
-
0.85
174.0520
TARTARIC ACID
Tartaric acid
ME232619
444305
-
0.83
149.0090
Arachidonic Acid (20:4)
Arachidonic acid
ME232521
444899
-
15.92
303.2326
Docosahexaenoic Acid (22:6)
DHA
ME232544
445580
-
15.69
327.2326
Eicosapentaenoic Acid
Eicosapentaenoic acid
ME232546
446284
-
15.29
301.2170
3-SULFINO-L-ALANINE
3-Sulfino-alanine
ME232502
1549098
-
0.81
152.0021
Vanilloylglycine
Vanilloylglycine
ME232630
3083688
-
7.59
224.0552
P-Cresol Sulfate
p-Cresol sulfate
ME232607
4615423
-
8.46
187.0068
Biliverdin
Biliverdin
ME232525
5280353
-
11.76
581.2400
Linoleic Acid (18:2)
Linoleic acid
ME232574
5280450
-
16.16
279.2326
a-LINOLENIC ACID
alpha-Linolenic acid
ME232516
5280934
-
15.43
277.2170
12(S)-HETE
12S-HETE
ME232633
5283155
-
14.08
319.2274
Sphingosine-1-phosphate
Sphingosine 1-phosphate
ME232615
5283560
-
12.42
378.2411
Ferulic acid sulfate
Ferulic acid 4-sulfate
ME232548
6305574
-
8.14
273.0075
Propionic Acid-13C3
Propionic acid
ME232609
9877334
-
2.22
76.0388
L-Tyrosine-13C6
Tyrosine
ME232581
12144755
-
3.20
186.0865
Caffeine-D3
Caffeine
ME232530
13001298
-
7.84
196.0915
SUCCINIC ACID-13C4
Succinic acid
ME232617
16213533
-
2.22
121.0323
CITRIC ACID-13C6
Citric acid
ME232539
16217547
-
1.75
197.0396
Salicylic Acid-D4
Salicylic acid
ME232612
46782907
-
9.91
141.0495
ASCORBIC ACID
Vitamin C
ME232522
54670067
-
1.16
175.0246
L-Phenylalanine-13C6
Phenylalanine
ME232579
71309396
-
6.08
170.0917
L-Leucine-13C6
Leucine
ME232577
71309640
-
2.33
136.1074
18-HEPE
18-HEPE
ME232491
-
-
13.14
317.2120
ALDOPENTOSE
Aldopentose
ME232515
-
-
0.84
149.0454
Billirubin
-
ME232526
-
-
11.64
583.2552
BOC-L-Tyrosine_R1
Tyrosine
ME232527
-
-
-
280.1186
BOC-L-Tyrosine_R2
Tyrosine
ME232528
-
-
-
206.0457
C6H12O6-HEXOSE/KETOSE/INOSITOL
Hexose
ME232529
-
-
0.73
179.0560
Chenodeoxycholic Acid (CDCA)_R1
Chenodeoxycholic acid
ME232532
-
-
12.35
437.2906
Chenodeoxycholic Acid (CDCA)_R2
Chenodeoxycholic acid
ME232533
-
-
12.38
391.2850
Cholic Acid_R1
Cholic acid
ME232535
-
-
11.14
453.2854
Cholic Acid_R2
Cholic acid
ME232536
-
-
11.15
407.2797
D-GLUCURONIC ACID/D-GLUCURONOLACTONE/D-(+)-GALACTU...
-
ME232543
-
-
0.75
193.0352
GLUCONIC ACID/D-GULONIC ACID GAMA-LACTONE
Gluconic acid/Gulonolactone
ME232549
-
-
0.74
195.0508
GLUCOSE/FRUCTOSE_R2
Hexose
ME232551
-
C00293
0.73
215.0327
Glycocholic Acid (GCA)
Glycocholic acid
ME232556
-
-
10.46
464.3015
Glycodeoxycholic acid (GDCA)
Glycodeoxycholic acid
ME232557
-
-
11.34
448.3067
Glycoursodeoxycholic acid (G-UDCA)_R1
Glycoursodeoxycholic acid
ME232559
-
-
10.74
448.3067
Glycoursodeoxycholic acid (G-UDCA)_R2
Glycoursodeoxycholic acid
ME232560
-
-
10.64
448.3067
HEXANESULFONIC ACID-Sulfate
-
ME232561
-
-
8.07
79.9565
LACTATE-dimer
-
ME232568
-
-
1.19
201.0379
LysoPC (18:1)
LPC 18:1
ME232583
-
-
13.84
566.3458
LysoPE (16:0)
LPE 16:0
ME232584
-
-
13.45
452.2781
LysoPE (18:0)
LPE 18:0
ME232585
-
-
14.50
480.3093
LysoPE (18:1)_R1
LPE 18:1
ME232586
-
-
13.46
478.2937
LysoPE (18:1)_R2
LPE 18:1
ME232587
-
-
13.62
478.2937
LysoPE (20:4)
LPE 20:4
ME232588
-
-
13.01
500.2781
LysoPE (22:6)
LPE 22:6
ME232589
-
-
13.01
524.2779
N-BOC-L-Aspartic Acid_R1
Aspartic acid
ME232599
-
-
-
158.0094
N-BOC-L-Aspartic Acid_R2
Aspartic acid
ME232600
-
-
-
232.0824
N-BOC-L-tert-Leucine_R1
-
ME232601
-
-
10.85
230.1394
N-BOC-L-tert-Leucine_R2
-
ME232602
-
-
10.85
156.0665
N-BOC-L-Tryptophan_R1
Tryptophan
ME232603
-
-
-
303.1345
N-BOC-L-Tryptophan_R2
Tryptophan
ME232604
-
-
-
229.0616
Plasmenyl-LysoPE (P-18:1)
LPE P-18:1
ME232608
-
-
13.89
462.2993
SARCOSINE/BETA-ALANINE
-
ME232613
-
-
0.88
88.0398
Taurochenodesoxycholic acid (T-CDCA)
Taurochenodeoxycholic acid
ME232621
-
-
10.55
498.2889
Taurocholic acid (TCA)
Taurocholic acid
ME232622
-
-
9.90
514.2839
Tauroursodeoxycholic acid (T-UDCA)
Tauroursodeoxycholic acid
ME232623
-
-
9.98
498.2888
THREONINE/HOMOSERINE
Threonine/Homoserine
ME232625
-
-
0.72
118.0508
Ursodeoxycholic Acid (UDCA)
Ursodeoxycholic acid
ME232629
-
-
11.57
437.2906
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