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Return to study ST000954 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
SPERMINE
Spermine
ME236487
1103
-
0.55
203.2226
SPERMIDINE
Spermidine
ME236486
1102
-
0.56
146.1649
ORNITHINE
Ornithine
ME236471
6262
-
0.61
133.0969
GLYCINE
Glycine
ME236386
750
-
0.67
76.0398
L-LYSINE
Lysine
ME236428
5962
-
0.67
147.1125
1-AMINOCYCLOPROPANE-1-CARBOXYLATE
1-Aminocyclopropanecarboxylic acid
ME236316
535
-
0.69
102.0552
5-Hydroxymethyl-2-furaldehyde_R1
5-Hydroxymethyl-2-furancarboxaldehyde
ME236333
237332
-
0.69
127.0389
ALANINE/SARCOSINE
Alanine/Sarcosine
ME236339
-
-
0.69
90.0554
ASPARTATE_R1
Aspartic acid
ME236346
5960
-
0.70
134.0446
CARNOSINE
Carnosine
ME236354
439224
-
0.70
227.1141
L-ALLOTHREONINE_R1
Allothreonine
ME236412
99289
-
0.70
142.0476
L-ARGININE
Arginine
ME236415
6322
-
0.70
175.1186
L-HISTIDINE
Histidine
ME236421
6274
-
0.70
156.0765
TAURINE
Taurine
ME236490
1123
-
0.70
126.0219
4-HYDROXYPROLINE
cis-4-Hydroxyproline
ME236327
5810
-
0.71
132.0654
6C-SUGAR ALCOHOL
-
ME236336
-
-
0.71
205.0676
ALDO/KETO-HEXOSE_R1
Hexose
ME236340
-
-
0.71
203.0521
L-ASPARAGINE
Asparagine
ME236416
6267
-
0.71
133.0607
L-CYSTEINE
Cysteine
ME236418
5862
-
0.71
122.0271
L-SERINE
Serine
ME236431
5951
-
0.71
106.0501
NEPSILON,NEPSILON,NEPSILON-TRIMETHYLLYSINE
N-6-Trimethyllysine
ME236465
440120
-
0.71
189.1593
N(PAI)-METHYL-L-HISTIDINE
3-Methylhistidine
ME236451
64969
-
0.71
170.0919
C5-SUGAR ALCOHOL
Dihydroxyquinoline
ME236353
-
-
0.72
175.0580
GLUCOSAMINE/MANNOSAMINE
-
ME236384
-
-
0.72
180.0862
L-GLUTAMINE
Glutamine
ME236420
5961
-
0.72
147.0760
THREONINE/HOMOSERINE
Threonine/Homoserine
ME236498
-
-
0.72
120.0655
Lactose
Lactose
ME236410
84571
-
0.73
343.1222
N-METHYL-D-ASPARTIC ACID
N-Methyl-D-aspartic acid
ME236468
22880
-
0.73
148.0602
PHOSPHOCHOLINE
Choline phosphate
ME236475
1014
-
0.73
184.0724
L-ANSERINE
Anserine
ME236414
112072
-
0.75
241.1285
N-ACETYL-HEXOSAMINE
N-Acetylhexosamine
ME236456
-
-
0.75
244.0785
CITRULLINE
Citrulline
ME236371
9750
-
0.76
176.1022
D-GLUCOSAMINE 6-PHOSPHATE
Glucosamine 6-phosphate
ME236377
440997
-
0.76
260.0530
Glycerophosphocholine
sn-Glycero-3-phosphocholine
ME236385
71920
-
0.76
258.1093
Methionine Sulfoxide
Methionine sulfoxide
ME236449
847
-
0.76
166.0529
Triethanolamine
Triethanolamine
ME236499
7618
-
0.76
150.1122
GLUCONIC ACID/D-GULONIC ACID GAMA-LACTONE
Gluconic acid/Gulonolactone
ME236383
-
-
0.77
219.0474
GUANIDINOACETATE
Guanidoacetic acid
ME236401
763
-
0.77
118.0616
L-(+)-Lactic Acid
Lactic acid
ME236409
612
-
0.77
91.0393
QUINATE_R2
Quinic acid
ME236480
6508
-
0.77
193.0701
4-AMINOBUTANOATE (GABA)_R1
gamma-Aminobutyric acid
ME236325
119
-
0.80
104.0709
5-Hydroxymethyl-2-furaldehyde_R2
5-Hydroxymethyl-2-furancarboxaldehyde
ME236334
237332
-
0.80
127.0389
ALLANTOIN
Allantoin
ME236342
204
-
0.80
159.0510
Lactose+K
Lactose
ME236411
-
-
0.80
381.0781
N-ACETYLNEURAMINATE
N-Acetylneuraminic acid
ME236458
439197
-
0.80
310.1123
ASPARTATE_R2
Aspartic acid
ME236347
5960
-
0.81
134.0446
Choline
Choline
ME236364
305
-
0.81
104.1072
L-PROLINE
Proline
ME236430
145742
-
0.81
116.0707
S-CARBOXYMETHYL-L-CYSTEINE
S-Carboxymethyl-cysteine
ME236482
193653
-
0.81
180.0323
D-Ribose
Ribose
ME236380
10975657
-
0.82
173.0417
HEXOSE-DISACCHARIDE
Hexose disaccharide
ME236402
-
-
0.82
365.1043
ALPHA-AMINOADIPATE/N-METHYL-L-GLUTAMATE
-
ME236344
-
-
0.83
162.0758
L-ALLOTHREONINE_R2
Allothreonine
ME236413
99289
-
0.85
142.0475
Trigonelline
Trigonelline
ME236500
5570
-
0.87
138.0544
CREATINE
Creatine
ME236372
586
-
0.88
132.0766
Creatine-D3
Creatine
ME236373
-
-
0.88
135.0954
HOMOCYSTEINE
Homocysteine
ME236403
778
-
0.89
136.0423
4-IMIDAZOLEACETIC ACID
Imidazoleacetic acid
ME236328
96215
-
0.90
127.0500
ALDO/KETO-HEXOSE_R2
Hexose
ME236341
-
-
0.90
203.0520
CREATININE
Creatinine
ME236374
588
-
0.90
114.0663
QUINATE_R1
Quinic acid
ME236479
6508
-
0.90
215.0525
CYS-GLY
Cys-Gly
ME236375
439498
-
0.91
179.0479
L-CARNITINE
Carnitine
ME236417
10917
-
0.92
162.1121
4-AMINOBUTANOATE (GABA)_R2
gamma-Aminobutyric acid
ME236326
119
-
0.98
104.0709
5-AMINOLEVULINIC ACID
5-Amino-levulinic acid
ME236329
137
-
0.99
132.0654
METHYL BETA-D-GALACTOSIDE
Methyl beta-D-galactoside
ME236450
94214
-
0.99
217.0682
Stachydrine_R1
Stachydrine
ME236488
115244
-
1.00
144.1017
Taurocholic acid (TCA)_R1
Taurocholic acid
ME236491
-
-
10.04
533.3242
Taurocholic acid (TCA)_R2
Taurocholic acid
ME236492
-
-
10.05
516.2973
CYTIDINE 2',3'-CYCLIC MONO-PHOS-PHATE
2',3' cyclic CMP
ME236376
53481030
-
1.02
306.0479
O-ACETYL-L-SERINE
O-Acetylserine
ME236469
99478
-
1.02
148.0602
Glycocholic Acid (GCA)_R2
Glycocholic acid
ME236389
-
-
10.36
466.3154
L-HOMOCYSTEINE THIOLACTONE
L-Homocysteine thiolactone
ME236422
134505
-
1.04
118.0321
Glycocholic Acid (GCA)_R6
Glycocholic acid
ME236393
-
-
10.44
488.2971
Glycocholic Acid (GCA)_R1
Glycocholic acid
ME236388
-
-
10.45
466.3154
Glycocholic Acid (GCA)_R4
Glycocholic acid
ME236391
-
-
10.45
430.2943
Glycocholic Acid (GCA)_R5
Glycocholic acid
ME236392
-
-
10.45
483.3418
Glycocholic Acid (GCA)_R3
Glycocholic acid
ME236390
-
-
10.46
448.3048
Glycocholic Acid (GCA)_R7
Glycocholic acid
ME236394
-
-
10.46
504.2621
Octanoylcarnitine
CAR 8:0
ME236470
11953814
-
10.46
288.2162
Glycoursodeoxycholic acid (G-UDCA)_R1
Glycoursodeoxycholic acid
ME236397
-
-
10.62
450.3204
Glycoursodeoxycholic acid (G-UDCA)_R2
Glycoursodeoxycholic acid
ME236398
-
-
10.62
432.3099
Glycoursodeoxycholic acid (G-UDCA)_R3
Glycoursodeoxycholic acid
ME236399
-
-
10.62
414.2992
Glycoursodeoxycholic acid (G-UDCA)_R4
Glycoursodeoxycholic acid
ME236400
-
-
10.62
472.3022
Formylkynurenine
N-Formyl-L-kynurenine
ME236382
910
-
10.66
237.0864
N-ACETYLPUTRESCINE
N-Acetylputrescine
ME236459
122356
-
1.07
131.1176
Stachydrine_R2
Stachydrine
ME236489
115244
-
1.07
144.1017
2,6-Dimethylheptanoyl Carnitine
CAR 7:0;2Me,6Me
ME236317
53477823
-
10.70
302.2317
Taurodeoxycholic Acid (T-DCA)_R1
Taurodeoxycholic acid
ME236493
-
-
10.76
464.2817
Taurodeoxycholic Acid (T-DCA)_R2
Taurodeoxycholic acid
ME236494
-
-
10.76
517.3291
Taurodeoxycholic Acid (T-DCA)_R3
Taurodeoxycholic acid
ME236495
-
-
10.76
482.2921
Taurodeoxycholic Acid (T-DCA)_R4
Taurodeoxycholic acid
ME236496
-
-
10.79
522.2844
N-BOC-L-tert-Leucine
-
ME236463
2734668
-
10.86
132.1017
5-Hydroxy-N-formylkynurenine
5-Hydroxy-N-formylkynurenine
ME236335
440744
-
11.12
253.0813
Cholic Acid_R2
Cholic acid
ME236363
-
-
11.13
426.3201
Cholic Acid_R1
Cholic acid
ME236362
-
-
11.14
373.2727
Formyl-5-hydroxykynurenamine
Formyl-5-hydroxykynurenamine
ME236381
440743
-
11.14
209.0913
N-ALPHA-ACETYL-L-LYSINE_R2
N(2)-Acetyllysine
ME236461
92907
-
1.12
189.1228
Chenodeoxycholyglycine (GCDCA)_R1
Glycochenodeoxycholic acid
ME236358
-
-
11.29
432.3099
Chenodeoxycholyglycine (GCDCA)_R2
Glycochenodeoxycholic acid
ME236359
-
-
11.29
450.3204
Chenodeoxycholyglycine (GCDCA)_R4
Glycochenodeoxycholic acid
ME236361
-
-
11.29
414.2992
Glycodeoxycholic acid (GDCA)_R2
Glycodeoxycholic acid
ME236396
-
-
11.36
472.3022
Glycodeoxycholic acid (GDCA)_R1
Glycodeoxycholic acid
ME236395
-
-
11.38
432.3099
BOC-D-Phenylalanine_R1
-
ME236348
-
-
11.40
166.0860
BOC-D-Phenylalanine_R2
-
ME236349
-
-
11.41
288.1198
Chenodeoxycholyglycine (GCDCA)_R3
Glycochenodeoxycholic acid
ME236360
-
-
11.42
450.3204
Ursodeoxycholic Acid (UDCA)_R2
Ursodeoxycholic acid
ME236507
-
-
11.42
375.2883
Ursodeoxycholic Acid (UDCA)_R1
Ursodeoxycholic acid
ME236506
-
-
11.44
357.2778
N-ACETYLGLYCINE
N-Acetylglycine
ME236455
10972
-
1.16
140.0317
3-UREIDOPROPIONATE
Ureidopropionic acid
ME236324
111
-
1.17
133.0605
BUTYROBETAINE
3-Dehydroxycarnitine
ME236352
725
C01181
1.17
146.1173
N-ALPHA-ACETYL-L-LYSINE_R1
N(2)-Acetyllysine
ME236460
92907
-
1.18
189.1229
PIPECOLATE/L-PIPECOLIC ACID
Pipecolic acid
ME236476
439227
-
1.19
130.0862
THIAMINE
Thiamine
ME236497
1130
C00378
1.22
265.1105
Chenodeoxycholic Acid (CDCA)_R2
Chenodeoxycholic acid
ME236356
-
-
12.28
357.2778
Chenodeoxycholic Acid (CDCA)_R3
Chenodeoxycholic acid
ME236357
-
-
12.33
375.2883
Chenodeoxycholic Acid (CDCA)_R1
Chenodeoxycholic acid
ME236355
-
-
12.34
357.2777
L-VALINE/5-AMINOPENTANOATE/L-NORVALINE
-
ME236432
-
-
1.26
118.0863
Uracil
Uracil
ME236505
1174
-
1.27
113.0347
LysoPC (16:1)_R2
LPC 16:1
ME236437
24779461
-
12.71
494.3231
LysoPC (16:1)_R1
LPC 16:1
ME236436
24779461
-
12.82
494.3231
LysoPE (20:4)_R2
LPE 20:4
ME236443
-
-
12.87
502.2918
LysoPE (22:6)_R2
LPE 22:6
ME236448
-
-
12.90
526.2914
LysoPE (20:4)_R1
LPE 20:4
ME236442
-
-
12.99
502.2918
LysoPE (22:6)_R1
LPE 22:6
ME236447
-
-
12.99
526.2916
LysoPE (22:4)_R1
LPE 22:4
ME236444
-
-
13.43
530.3227
LysoPC (16:0)_R3
LPC 16:0
ME236435
460602
-
13.44
496.3388
LysoPE (22:4)_R2
LPE 22:4
ME236445
-
-
13.52
530.3226
LysoPC (16:0)_R1
LPC 16:0
ME236433
460602
-
13.59
496.3388
LysoPC (16:0)_R2
LPC 16:0
ME236434
-
-
13.59
518.3206
LysoPE (22:4)_R3
LPE 22:4
ME236446
-
-
13.60
530.3227
LysoPE (18:1)
LPE 18:1
ME236441
9547071
-
13.61
480.3077
Diphenylamine
Diphenylamine
ME236379
11487
-
13.65
170.0964
LysoPC (20:4)
LPC 20:4
ME236439
-
-
13.77
544.3364
LysoPE (18:0)
LPE 18:0
ME236440
-
-
14.47
482.3231
2-hydroxyglutarate-water_R1
-
ME236319
-
-
1.46
131.0339
LysoPC (18:0)
LPC 18:0
ME236438
-
-
14.72
524.3700
N-Acetyl-Arginine
N-Acetylarginine
ME236453
67427
-
1.48
217.1291
NICOTINAMIDE
Niacinamide
ME236467
936
-
1.49
123.0554
2-hydroxyglutarate+Na
2-Hydroxyglutaric acid
ME236318
-
-
1.50
171.0261
2-hydroxyglutarate-water_R2
-
ME236320
-
-
1.57
131.0339
N-ACETYL-L-ASPARTIC ACID
N-Acetylaspartic acid
ME236457
65065
-
1.71
176.0550
Pyroglutamic Acid
Pyroglutamic acid
ME236478
7405
-
1.73
130.0498
CITRATE
Citric acid
ME236365
311
-
1.83
193.0340
Citrate+Na
Citric acid
ME236369
-
-
1.83
215.0157
Citrate+NH3
Citric acid
ME236370
-
-
1.83
210.0604
Citrate source fragment (+H and + NH3)
-
ME236366
-
-
1.83
129.0185
Citrate source fragment (+NH3)_R2
-
ME236368
-
-
1.83
157.0131
Citrate source fragment (+NH3)_R1
-
ME236367
-
-
1.84
175.0234
L-Isoleucine
Isoleucine
ME236423
6306
-
2.16
132.1018
L-Leucine-D10
Leucine
ME236427
16213587
-
2.43
142.1645
L-LEUCINE
Leucine
ME236425
857
-
2.46
132.1018
L-Leucine 13C6
Leucine
ME236426
-
-
2.46
138.1219
2-Hydroxyphenylalanine
2-Hydroxy-L-Phenylalanine
ME236321
6950574
-
3.28
182.0809
N1-Methyl-4-pyridone-5-carboxamide
N1-Methyl-4-pyridone-3-carboxamide
ME236452
440810
-
4.78
153.0652
3-HYDROXYANTHRANILIC ACID
3-Hydroxyanthranilic acid
ME236322
86
-
5.22
154.0493
Allopurinol
Allopurinol
ME236343
2094
-
6.07
137.0456
3-METHOXYTYRAMINE
3-Methoxytyramine
ME236323
1669
-
6.24
168.1014
Phenylalanine
Phenylalanine
ME236473
6140
-
6.24
166.0860
Phenylalanine-HCOOH
-
ME236474
-
-
6.24
120.0808
L-Phenylalanine 13C6
Phenylalanine
ME236429
-
-
6.25
172.1062
L-KYNURENINE
Kynurenine
ME236424
161166
-
6.48
209.0916
5-hydroxyindoleacetic acid
5-Hydroxyindoleacetic acid
ME236330
1826
-
6.49
192.0651
Pantothenic Acid
Pantothenic acid
ME236472
6613
-
6.65
220.1174
Acyl-Carnitine(5-OH)_R1
CAR 5:0;OH
ME236337
-
-
6.70
262.1643
5-HYDROXY-L-TRYPTOPHAN_R2
5-Hydroxy-tryptophan
ME236332
144
-
6.73
221.0914
Proprionylcarnitine
CAR DC3:0
ME236477
107738
-
6.74
218.1384
Acyl-Carnitine(5-OH)_R2
CAR 5:0;OH
ME236338
-
-
6.76
262.1642
SEROTONIN-NH3
Serotonin
ME236484
5202
-
6.85
160.0754
5-HYDROXY-L-TRYPTOPHAN_R1
5-Hydroxy-tryptophan
ME236331
144
-
6.88
221.0915
SEROTONIN
Serotonin
ME236483
5202
-
6.90
177.1019
N-formyl-L-methionine
N-Formylmethionine
ME236466
439750
-
6.96
178.0532
Leu Pro
Leu-Pro
ME236419
-
-
7.32
229.1541
Isobutyrylcarnitine
CAR 3:0;2Me
ME236405
10177002
-
7.45
232.1539
Xanthurenic Acid
Xanthurenic acid
ME236508
5699
-
7.49
206.0444
Tryptophan-2,3,3-D3
Tryptophan
ME236502
-
-
7.64
208.1158
Tryptophan
Tryptophan
ME236501
6305
-
7.65
205.0968
Source Fragment TRP
-
ME236485
-
-
7.66
118.0651
Tryptophan-NH3
Tryptophan
ME236504
-
-
7.66
188.0702
Tryptophan-2,3,3-D3-NH3
Tryptophan
ME236503
-
-
7.67
191.0892
Kynurenic Acid
Kynurenic acid
ME236408
3845
-
7.74
190.0495
Dihydroxyquinoine
Dihydroxyquinoline
ME236378
54680871
-
7.93
162.0547
Hydroxyhippuric acid
Hydroxyhippuric acid
ME236404
10253
-
7.94
196.0390
RIBOFLAVIN
Riboflavin
ME236481
493570
-
7.99
377.1444
Isovalerylcarnitine_R2
CAR 4:0;3Me
ME236407
169235
-
8.00
246.1694
Isovalerylcarnitine_R1
CAR 4:0;3Me
ME236406
169235
-
8.11
246.1694
Anthranilate
2-Aminobenzoic acid
ME236345
227
-
8.62
120.0444
N-ACETYL-D-TRYPTOPHAN
N-Acetyl-D-tryptophan
ME236454
439917
-
8.62
247.1070
GLYCOCHOLATE
Glycocholic acid
ME236387
10140
-
9.83
466.3154
BOC-L-Tyrosine_R1
Tyrosine
ME236350
-
-
-
182.0808
BOC-L-Tyrosine_R2
Tyrosine
ME236351
-
-
-
304.1147
N-BOC-L-Aspartic Acid
Aspartic acid
ME236462
99718
-
-
134.0446
N-BOC-L-Tryptophan
Tryptophan
ME236464
83169
-
-
205.0967
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-HISTIDINE
Histidine
ME236600
6274
-
0.69
154.0623
L-SERINE
Serine
ME236607
5951
-
0.69
104.0352
TAURINE
Taurine
ME236654
1123
-
0.70
124.0073
ASPARAGINE
Asparagine
ME236542
6267
-
0.71
131.0462
C6H12O6-HEXOSE/KETOSE/INOSITOL
Hexose
ME236548
-
-
0.71
179.0562
THREONINE/HOMOSERINE
Threonine/Homoserine
ME236658
-
-
0.71
118.0510
5-AMINOLEVULINIC ACID;4-HYDROXYPROLINE;trans-4-Hyd...
5-Amino-levulinic acid
ME236528
-
-
0.72
130.0510
L-ARGININE
Arginine
ME236594
6322
-
0.72
173.1046
L-GLUTAMINE
Glutamine
ME236599
5961
-
0.72
145.0619
Sulfoacetaldehyde
Sulfoacetaldehyde
ME236652
160226
-
0.72
122.9758
ERYTHRITOL
Erythritol
ME236569
222285
-
0.73
157.0271
GLUCONIC ACID/D-GULONIC ACID GAMA-LACTONE
Gluconic acid/Gulonolactone
ME236573
-
-
0.73
195.0510
GLUCOSE/FRUCTOSE_R1
Hexose
ME236574
-
C00293/C01496
0.73
215.0329
GLUCOSE/FRUCTOSE_R2
Hexose
ME236575
5793
-
0.73
217.0297
GLYCEROL 2-PHOSPHATE/SN-GLYCEROL 3-PHOSPHATE
Phosphoglyceric acid
ME236577
-
-
0.73
171.0060
Mannitol;HEXOSE ALCOHOL
Mannitol
ME236620
62516
-
0.73
181.0718
PHOSPHOCHOLINE
Choline phosphate
ME236641
1014
-
0.73
218.0324
D-GLUCURONIC ACID/D-GLUCURONOLACTONE/D-(+)-GALACTU...
-
ME236563
-
-
0.74
193.0351
D-SACCHARIC ACID_R1
Glucaric acid
ME236565
33037
-
0.75
209.0303
L-GLUTAMIC ACID;N-METHYL-D-ASPARTIC ACID;O-ACETYL-...
Glutamic acid
ME236598
-
-
0.76
146.0459
ALPHA-KETOGLUTARIC ACID+2H
2-Oxoglutaric acid
ME236539
51
-
0.77
147.0300
GUANIDINOACETATE
Guanidoacetic acid
ME236585
763
-
0.77
116.0465
L-CYSTEINE
Cysteine
ME236596
5862
-
0.77
120.0128
CITRULLINE
Citrulline
ME236559
9750
-
0.78
174.0884
S-CARBOXYMETHYL-L-CYSTEINE
S-Carboxymethyl-cysteine
ME236648
193653
-
0.78
178.0178
ALLANTOIN
Allantoin
ME236537
204
-
0.80
157.0367
ASPARTATE
Aspartic acid
ME236543
83887
-
0.80
132.0303
N-ACETYLNEURAMINATE
N-Acetylneuraminic acid
ME236627
439197
-
0.80
308.0990
3-SULFINO-L-ALANINE
3-Sulfino-alanine
ME236521
1549098
-
0.81
152.0023
6-PHOSPHOGLUCONIC ACID_R2
6-Phosphogluconic acid
ME236533
91493
-
0.81
275.0220
GLYCERIC ACID
Glyceric acid
ME236576
439194
-
0.81
105.0187
N-ACETYL-D-MANNOSAMINE
N-Acetyl-mannosamine
ME236625
439281
-
0.81
256.0595
LL-2,6-DIAMINOHEPTANEDIOATE
2,6-Diaminopimelic acid
ME236604
439283
-
0.82
189.0881
N-METHYL-L-GLUTAMATE;ALPHA-AMINOADIPATE;L-2-Aminoa...
N-Methyl-glutamic acid
ME236638
-
-
0.82
160.0616
TARTARIC ACID
Tartaric acid
ME236653
444305
-
0.83
149.0092
ALDOPENTOSE
Aldopentose
ME236535
-
-
0.84
149.0456
GLYCOLATE
Glycolic acid
ME236583
757
-
0.85
75.0082
D-SACCHARIC ACID_R2
Glucaric acid
ME236566
33037
-
0.87
209.0304
Creatine-D3
Creatine
ME236561
-
-
0.88
133.0811
SARCOSINE/BETA-ALANINE
-
ME236647
-
-
0.88
88.0398
CREATINE
Creatine
ME236560
586
-
0.89
130.0622
6-PHOSPHOGLUCONIC ACID_R1
6-Phosphogluconic acid
ME236532
91493
-
0.93
275.0215
EDTA
Edetic acid
ME236567
6049
-
0.95
291.0835
L-CARNITINE
Carnitine
ME236595
10917
-
0.95
196.0744
N-METHYL-L-GLUTAMATE;ALPHA-AMINOADIPATE;L-2-Aminoa...
N-Methyl-glutamic acid
ME236639
-
-
0.95
160.0615
N-FORMYLGLYCINE
N-Formylglycine
ME236636
75606
-
0.96
102.0195
2-deoxy-D-galactose (fructose/glucose)_R1
-
ME236510
-
-
0.98
163.0611
PYRIDOXAMINE
Pyridoxamine
ME236644
1052
-
1.00
203.0562
Taurocholic acid (TCA)
Taurocholic acid
ME236655
-
-
10.01
514.2844
Tauroursodeoxycholic acid (T-UDCA)
Tauroursodeoxycholic acid
ME236657
-
-
10.11
498.2895
Glycocholic Acid (GCA)_R2
Glycocholic acid
ME236581
-
-
10.30
464.3018
CHOLATE_R2
Cholic acid
ME236553
221493
-
10.34
407.2803
ADP
ADP
ME236534
6022
-
1.04
426.0215
CHOLATE_R1
Cholic acid
ME236552
221493
-
10.45
407.2803
Glycocholic Acid (GCA)_R1
Glycocholic acid
ME236580
-
-
10.45
464.3018
MALATE;OXALOACETATE+2H-H
Malic acid
ME236619
92824
-
1.05
133.0143
Pyruvate
Pyruvic acid
ME236645
107735
-
1.05
87.0084
N-ACETYL-DL-SERINE;O-ACETYL-L-SERINE
N-Acetylserine
ME236624
-
-
1.06
146.0459
Glycoursodeoxycholic acid (G-UDCA)
Glycoursodeoxycholic acid
ME236584
-
-
10.62
448.3070
Taurodeoxycholic Acid (T-DCA)
Taurodeoxycholic acid
ME236656
-
-
10.76
498.2897
N-BOC-L-tert-Leucine_R1
-
ME236632
-
-
10.86
156.0666
N-BOC-L-tert-Leucine_R2
-
ME236633
-
-
10.86
230.1396
L-VALINE
Valine
ME236610
6287
-
1.09
116.0717
2-deoxy-D-galactose (fructose/glucose)_R2
2-Deoxy-galactose
ME236511
-
-
1.11
163.0612
Cholic Acid_R1
Cholic acid
ME236554
-
-
11.12
453.2861
Cholic Acid_R2
Cholic acid
ME236555
-
-
11.13
407.2803
Cholic Acid_R3
Cholic acid
ME236556
-
-
11.14
443.2575
3-Hydroxydecanoic acid
3-Hydroxydecanoic acid
ME236517
26612
-
11.29
187.1340
Glycodeoxycholic acid (GDCA);Chenodeoxycholyglycin...
Glycodeoxycholic acid
ME236582
-
-
11.30
448.3070
ISOCITRIC ACID
Isocitric acid
ME236590
1198
-
1.14
191.0198
Ursodeoxycholic Acid (UDCA)_R2
Ursodeoxycholic acid
ME236666
-
-
11.53
437.2910
N-ACETYLGLYCINE
N-Acetylglycine
ME236626
10972
-
1.16
116.0353
Ursodeoxycholic Acid (UDCA)_R1
Ursodeoxycholic acid
ME236665
-
-
11.71
437.2910
Billirubin
-
ME236545
-
-
11.74
583.2561
DECANOATE
Capric acid
ME236562
2969
-
11.74
171.1390
ASCORBIC ACID
Vitamin C
ME236541
54670067
-
1.18
175.0246
LACTATE
Lactic acid
ME236592
612
-
1.19
89.0239
LACTATE-dimer
-
ME236593
-
-
1.19
201.0381
NALPHA-ACETYL-L-LYSINE
N(2)-Acetyllysine
ME236629
92907
-
1.21
187.1087
Chenodeoxycholic Acid (CDCA);Deoxycholic Acid (DCA...
Chenodeoxycholic acid
ME236551
-
-
12.32
437.2910
Chenodeoxycholic Acid (CDCA);Deoxycholic Acid (DCA...
Chenodeoxycholic acid
ME236550
-
-
12.34
391.2854
3-UREIDOPROPIONATE
Ureidopropionic acid
ME236522
111
-
1.24
131.0462
Sphingosine-1-phosphate
Sphingosine 1-phosphate
ME236649
5283560
-
12.41
378.2414
Uracil
Uracil
ME236661
1174
-
1.25
111.0200
LysoPE (20:4)
LPE 20:4
ME236617
-
-
12.84
500.2787
LysoPE (22:6)
LPE 22:6
ME236618
-
-
12.91
524.2784
LysoPE (16:0)_R2
LPE 16:0
ME236613
-
-
13.25
452.2785
LysoPE (16:0)_R1
LPE 16:0
ME236612
-
-
13.43
452.2786
LysoPE (18:1)_R2
LPE 18:1
ME236616
-
-
13.47
478.2941
L-METHIONINE
Methionine
ME236605
6137
-
1.35
148.0437
LysoPE (18:1)_R1
LPE 18:1
ME236615
-
-
13.58
478.2941
Mono-(2-Ethylhexyl) Phthalate Dimer
Monoethylhexyl phthalic acid
ME236621
20393
-
13.59
540.3308
LysoPC (18:1)
LPC 18:1
ME236611
-
-
13.72
566.3465
Plasmenyl-LysoPE (P-18:1)
LPE P-18:1
ME236642
-
-
13.87
462.2997
2-hydroxyglutarate
2-Hydroxyglutaric acid
ME236512
43
-
1.40
147.0300
LysoPE (18:0)
LPE 18:0
ME236614
-
-
14.47
480.3097
Eicosapentaenoic Acid
Eicosapentaenoic acid
ME236568
446284
-
15.27
301.2173
4-GUANIDINOBUTANOATE
4-Guanidinobutanoic acid
ME236524
500
-
1.54
144.0779
a-LINOLENIC ACID
alpha-Linolenic acid
ME236536
5280934
-
15.42
277.2172
Docosahexaenoic Acid (22:6);Docosahexanoic Acid
DHA
ME236564
445580
-
15.67
327.2330
Arachidonic Acid (20:4)
Arachidonic acid
ME236540
444899
-
15.88
303.2330
Linoleic Acid (18:2)
Linoleic acid
ME236601
5280450
-
16.15
279.2330
URATE_R1
Uric acid
ME236662
1175
-
1.73
167.0211
4-oxoproline;5-OXO-L-PROLINE
4-Oxo-proline
ME236527
1075417405
-
1.76
128.0354
CITRATE
Citric acid
ME236558
311
-
1.85
191.0198
PYRIDOXAL
Pyridoxal
ME236643
1050
-
1.89
166.0510
UROCANATE
Urocanic acid
ME236664
736715
-
1.89
137.0357
URATE_R2
Uric acid
ME236663
1175
-
1.95
167.0207
Fumaric Acid
Fumaric acid
ME236572
444972
C00122
1.97
115.0036
N-ACETYL-DL-GLUTAMIC ACID
N-Acetylglutamic acid
ME236623
185
-
2.14
188.0564
L-ISOLEUCINE
Isoleucine
ME236602
6306
-
2.18
130.0873
Succinic-2,2,3,3-D4 Acid
-
ME236651
-
-
2.19
121.0443
CITRAMALATE
Citramalic acid
ME236557
1081
-
2.20
147.0300
SUCCINATE
Succinic acid
ME236650
1110
-
2.23
117.0193
ALPHA-HYDROXYISOBUTYRIC ACID
2-Hydroxyisobutyric acid
ME236538
11671
-
2.25
103.0399
LEUCINE
Leucine
ME236597
857
-
2.44
130.0873
3-HYDROXYKYNURENINE
Hydroxykynurenine
ME236518
89
-
3.10
223.0725
3-HYDROXY-3-METHYLGLUTARATE
3-Hydroxymethylglutaric acid
ME236516
1662
-
3.20
161.0456
L-Tyrosine-13C6
Tyrosine
ME236609
12144755
-
3.29
186.0866
L-TYROSINE
Tyrosine
ME236608
6057
-
3.30
180.0666
4-ACETAMIDOBUTANOATE
4-Acetamidobutanoic acid
ME236523
18189
-
3.62
144.0666
3-METHOXY-4-HYDROXYMANDELATE
Vanillylmandelic acid
ME236519
736172
-
5.16
197.0455
L-Phenylalanine-13C6
Phenylalanine
ME236606
71309396
-
6.23
170.0919
Guanosine
Guanosine
ME236586
6802
-
6.24
282.0843
L-KYNURENINE
Kynurenine
ME236603
161166
-
6.49
207.0775
Pantothenic Acid
Pantothenic acid
ME236640
6613
-
6.63
218.1034
5-HYDROXY-L-TRYPTOPHAN
5-Hydroxy-tryptophan
ME236529
144
-
6.87
219.0775
N-formyl-L-methionine
N-Formylmethionine
ME236637
439750
-
6.94
176.0386
4-METHYL-2-OXO-PENTANOIC ACID
Ketoleucine
ME236526
70
-
6.95
129.0558
Catechol Sulfate
Catechol sulfate
ME236549
3083879
-
7.11
188.9864
2-Hydroxyhippuric acid_R1
Salicyluric acid
ME236513
10253
-
7.23
194.0459
2-Hydroxyhippuric acid_R2
Salicyluric acid
ME236514
10253
-
7.36
194.0459
Xanthurenic Acid
Xanthurenic acid
ME236669
5699
-
7.48
204.0299
6-Hydroxycaproic acid_R2
6-Hydroxycaproic acid
ME236531
14490
-
7.63
131.0713
Vanilloylglycine_R1
Vanilloylglycine
ME236667
3083688
-
7.63
224.0553
Tryptophan-2,3,3-D3
Tryptophan
ME236660
-
-
7.64
206.1014
Tryptophan
Tryptophan
ME236659
6305
-
7.65
203.0827
Kynurenic Acid
Kynurenic acid
ME236591
3845
-
7.72
188.0353
Vanilloylglycine_R2
Vanilloylglycine
ME236668
3083688
-
7.82
224.0558
3-methyladipic acid
3-Methyladipic acid
ME236520
12292
-
7.85
159.0663
INDOXYL SULFATE
Indoxyl sulfate
ME236589
92769
-
7.85
212.0023
6-Hydroxycaproic acid_R1
6-Hydroxycaproic acid
ME236530
14490
-
7.93
131.0714
N-ACETYLSEROTONIN
N-Acetylserotonin
ME236628
903
-
8.12
218.1014
HEXANESULFONIC ACID-Sulfate
-
ME236587
-
-
8.29
79.9565
Ferulic acid sulfate
Ferulic acid 4-sulfate
ME236571
6305574
-
8.33
273.0076
FERULATE
trans-Ferulic acid
ME236570
445858
-
8.38
193.0488
4-Hydroxyphenylacetate
4-Hydroxyphenyl acetate
ME236525
127
-
8.49
151.0402
AZELAIC ACID
Azelaic acid
ME236544
2266
-
8.61
187.0975
3-(2-HYDROXYPHENYL)PROPANOATE
3-(2-Hydroxyphenyl)propanoic acid
ME236515
873
-
8.77
165.0557
INDOLE-3-ACETATE
Indoleacetic acid
ME236588
802
-
9.12
174.0560
2',4'-DIHYDROXYACETOPHENONE
2',4'-Dihydroxyacetophenone
ME236509
6990
-
9.40
151.0402
GLYCOCHOLATE_R2
Glycocholic acid
ME236579
10140
-
9.76
464.3018
GLYCOCHOLATE_R1
Glycocholic acid
ME236578
10140
-
9.90
464.3019
Monoethyl phthalate (mEP)
-
ME236622
-
-
9.90
193.0506
Salicylic Acid-D4
Salicylic acid
ME236646
46782907
-
9.98
141.0495
BOC-L-Tyrosine_R1
Tyrosine
ME236546
-
-
-
280.1189
BOC-L-Tyrosine_R2
Tyrosine
ME236547
-
-
-
206.0459
N-BOC-L-Aspartic Acid_R1
Aspartic acid
ME236630
-
-
-
232.0826
N-BOC-L-Aspartic Acid_R2
Aspartic acid
ME236631
-
-
-
158.0096
N-BOC-L-Tryptophan_R1
Tryptophan
ME236634
-
-
-
303.1351
N-BOC-L-Tryptophan_R2
Tryptophan
ME236635
-
-
-
229.0618
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