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Return to study ST000270 main page
Analysis: ESI positive ion mode
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
3-UREIDOPROPIONATE
Ureidopropionic acid
ME702579
111
C02642
1.18
133.0611
4-AMINOBUTANOATE
gamma-Aminobutyric acid
ME702577
119
C00334
0.81
104.0709
ALLANTOIN
Allantoin
ME702564
204
C01551
0.81
159.0517
HEXOSE-6-PHOSPHATE
Hexose 6-phosphate
ME702552
208
C02965
0.76
261.0373
BETAINE
Betaine
ME702562
247
C00719
0.81
118.0865
L-CARNITINE
Carnitine
ME702543
288
-
0.93
162.1126
CITRATE
Citric acid
ME702561
311
C00158
1.94
215.0165
HIPPURATE
Hippuric acid
ME702550
464
C01586
7.26
180.0637
2-AMINOPHENOL
2-Aminophenol
ME702584
491
C01987
1.88
110.0605
4-GUANIDINOBUTANOATE
4-Guanidinobutanoic acid
ME702576
500
C01035
1.62
146.0924
1-AMINOCYCLOPROPANE-1-CARBOXYLATE
1-Aminocyclopropanecarboxylic acid
ME702585
535
C01234
0.75
102.0552
CREATINE
Creatine
ME702559
586
C00300
0.9
132.0771
CREATININE
Creatinine
ME702558
588
C00791
0.92
114.0666
5,6-DIHYDROURACIL
Dihydrouracil
ME702573
649
C00429
1.36
115.0505
GLYCINE
Glycine
ME702554
750
C00037
0.78
76.0396
GUANINE
Guanine
ME702553
764
C00242
1.55
152.0564
HISTAMINE
Histamine
ME702549
774
C00388
0.71
112.0873
HYPOXANTHINE
Hypoxanthine
ME702548
790
C00262
2.06
137.0463
6-DEOXY-HEXOSE
-
ME702569
840
-
0.83
187.0579
LEUCINE
Leucine
ME702541
857
C00123
2.47
132.1023
NICOTINAMIDE
Niacinamide
ME702517
936
C00153
1.63
123.0555
Pantothenic Acid
Pantothenic acid
ME702514
988
C00864
6.62
220.1167
PHENETHYLAMINE
Phenylethylamine
ME702513
1001
C05332
6.8
122.0966
PHOSPHOCHOLINE
Choline phosphate
ME702510
1014
-
0.96
184.0724
SUCCINATE
Succinic acid
ME702508
1110
C00042
2.31
141.0162
TAURINE
Taurine
ME702507
1123
C00245
0.72
126.0221
THYMINE
Thymine
ME702505
1135
C00178
3.3
127.0504
URACIL
Uracil
ME702500
1174
C00106
1.42
113.0348
URATE
Uric acid
ME702499
1175
C00366
1.87
169.0362
ISOCITRIC ACID
Isocitric acid
ME702547
1198
C00311
1.11
215.0151
Acetaminophen/Paracetamol
Acetaminophen
ME702568
1983
C06804
7.12
152.07
TYRAMINE
Tyramine
ME702501
5610
C00483
4.45
138.0917
L-SERINE
Serine
ME702536
5951
C00065
0.74
106.0501
ASPARTATE
Aspartic acid
ME702563
5960
C00049
0.82
134.045
L-GLUTAMINE
Glutamine
ME702540
5961
C00064
0.73
147.0766
URIDINE
Uridine
ME702498
6029
C00299
2.87
267.0582
3,4-DIHYDROXY-L-PHENYLALANINE
DOPA
ME702582
6047
C00355
2.33
198.076
L-TYROSINE
Tyrosine
ME702535
6057
C00082
3.38
182.0812
L-METHIONINE
Methionine
ME702538
6137
C00073
1.43
150.0588
Phenylalanine
Phenylalanine
ME702512
6140
C00079
6.17
166.0862
L-ASPARAGINE
Asparagine
ME702544
6267
C00152
0.71
133.061
L-HISTIDINE
Histidine
ME702539
6274
C00135
0.7
156.0769
Tryptophan
Tryptophan
ME702503
6305
C00078
7.63
205.0978
Isoleucine
Isoleucine
ME702546
6306
C00407
2.18
132.1023
L-ARGININE
Arginine
ME702545
6322
C00062
0.71
175.119
2-QUINOLINECARBOXYLIC ACID
Quinaldic acid
ME702583
7124
C06325
7.06
174.0533
5-OXO-L-PROLINE
Pyroglutamic acid
ME702571
7405
C01879
1.85
130.0504
CITRULLINE
Citrulline
ME702560
9750
C00327
0.78
176.1034
N-ACETYLGLYCINE
N-Acetylglycine
ME702525
10972
-
1.2
140.0314
4-ACETAMIDOBUTANOATE
4-Acetamidobutanoic acid
ME702578
18189
C02946
3.49
168.0638
N-METHYL-D-ASPARTIC ACID
N-Methyl-D-aspartic acid
ME702516
22880
C12269
0.76
148.0607
D-(+)-GALACTOSAMINE
Galactosamine
ME702557
24154
-
0.72
202.0692
4-HYDROXY-L-PHENYLGLYCINE
4-Hydroxyphenylglycine
ME702575
36143
C12323
0.74
168.0658
3-AMINOISOBUTANOATE
3-Aminoisobutanoic acid
ME702581
64956
C05145
0.99
104.0707
N(PAI)-METHYL-L-HISTIDINE
3-Methylhistidine
ME702527
64969
C01152
0.73
170.0928
5-METHYLCYTOSINE HYDROCLORIDE
5-Methylcytosine
ME702572
65040
C02376
1.12
126.0664
N-ACETYL-L-ASPARTIC ACID
N-Acetylaspartic acid
ME702522
65065
C01042
1.68
176.0557
L-CYSTEIC ACID
Cysteic acid
ME702542
72886
C00506
0.73
170.0119
METHYL INDOLE-3-ACETATE
Indole-3-methyl acetate
ME702528
74706
-
10.55
190.0867
N-FORMYLGLYCINE
N-Formylglycine
ME702518
75606
-
0.99
104.0344
N-ACETYL-L-ALANINE
N-Acetylalanine
ME702523
88064
-
2.24
154.0478
(R)-MALATE
D-Malic acid
ME702586
92824
C00497
1.1
157.0105
METHYL BETA-D-GALACTOSIDE
Methyl beta-D-galactoside
ME702529
94214
C03619
1.01
217.0689
O-Acetyl-L-Serine
O-Acetylserine
ME702515
99478
C00979
0.77
148.0425
N-ACETYLPUTRESCINE
N-Acetylputrescine
ME702521
122356
C02714
1.11
131.1181
L-PROLINE
Proline
ME702537
145742
C00148
0.85
116.0709
3-METHYL-2-OXINDOLE
3-Methyloxindole
ME702580
150923
C02366
8.67
148.076
N-ACETYL-DL-SERINE
N-Acetylserine
ME702526
352294
-
1.14
148.0606
PIPECOLATE/L-PIPECOLIC ACID
Pipecolic acid
ME702509
439227
C00408
1.29
130.0864
N-AMIDINO-L-ASPARTATE
Guanidinosuccinic acid
ME702520
439918
C03139
1.03
176.067
NEPSILON,NEPSILON,NEPSILON-TRIMETHYLLYSINE
N-6-Trimethyllysine
ME702519
440120
C03793
0.72
189.1596
TRANS-CINNAMATE
trans-Cinnamic acid
ME702504
444539
C00423
9.77
149.0597
LysoPC (16:0)
LPC 16:0
ME702533
460602
C04230
13.64
496.3419
UROCANATE
Urocanic acid
ME702497
736715
C00785
2
139.0504
LysoPE (18:1)
LPE 18:1
ME702530
9547071
-
13.68
480.3098
4-HYDROXYPROLINE
cis-4-Hydroxyproline
ME702574
11137200
C04397
0.74
132.0656
6C-SUGAR ALCOHOL
-
ME702570
-
-
0.72
205.0687
ALANINE/SARCOSINE
Alanine/Sarcosine
ME702567
-
-
0.73
90.0551
ALDO/KETO-HEXOSE
Hexose
ME702566
-
-
0.72
203.053
ALDOPENTOSE
Aldopentose
ME702565
-
-
0.78
173.0426
GLUCONIC ACID/D-GULONIC ACID GAMA-LACTONE
Gluconic acid/Gulonolactone
ME702556
-
-
0.76
219.0479
GLUCOSAMINE/MANNOSAMINE
-
ME702555
-
-
0.75
180.0865
HEXOSE-DISACCHARIDE
Hexose disaccharide
ME702551
-
-
0.8
365.1051
L-VALINE/5-AMINOPENTANOATE/L-NORVALINE
-
ME702534
-
-
1.11
118.0865
LysoPC (16:1)
LPC 16:1
ME702532
-
-
12.87
494.3242
LysoPC (18:0)
LPC 18:0
ME702531
-
-
14.78
524.3716
N-ACETYL-HEXOSAMINE
N-Acetylhexosamine
ME702524
-
-
0.77
244.0797
Phenylalanine-HCOOH
-
ME702511
-
-
6.18
120.0808
THREONINE/HOMOSERINE
Threonine/Homoserine
ME702506
-
-
0.73
120.0659
Tryptophan-NH3
Tryptophan
ME702502
-
-
7.63
188.0708
Analysis: ESI/Orbitrap 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
ME702655
47
C03465
6.92
129.0553
4-METHYL-2-OXO-PENTANOIC ACID
Ketoleucine
ME702651
70
C00233
7.22
129.0553
4-HYDROXYBENZALDEHYDE
4-Hydroxybenzaldehyde
ME702653
126
C00633
7.83
121.0295
5-AMINOLEVULINIC ACID
5-Amino-levulinic acid
ME702650
137
C00430
1.16
130.0508
ALLANTOIN
Allantoin
ME702647
204
C01551
0.81
157.0362
L-CARNITINE
Carnitine
ME702618
288
-
0.94
196.0742
CITRATE
Citric acid
ME702640
311
C00158
1.93
191.0197
CREATINE
Creatine
ME702638
586
C00300
0.9
130.0621
CREATININE
Creatinine
ME702637
588
C00791
0.93
112.0512
Glyceraldehyde
Glyceraldehyde
ME702629
751
C02154
0.76
89.0236
GLYCOLATE
Glycolic acid
ME702625
757
C00160
0.85
75.0079
GUANINE
Guanine
ME702624
764
C00242
1.53
150.0414
HYPOXANTHINE
Hypoxanthine
ME702622
790
C00262
2.06
135.0308
LEUCINE
Leucine
ME702616
857
C00123
2.47
130.0868
3-(2-HYDROXYPHENYL)PROPANOATE
3-(2-Hydroxyphenyl)propanoic acid
ME702657
873
C01198
8.73
165.0553
NICOTINAMIDE
Niacinamide
ME702601
936
C00153
1.62
121.0403
CITRAMALATE
Citramalic acid
ME702641
1081
C00815
2.27
147.0294
SUCCINATE
Succinic acid
ME702595
1110
C00042
2.31
117.0188
TAURINE
Taurine
ME702593
1123
C00245
0.71
124.0069
URACIL
Uracil
ME702590
1174
C00106
1.34
111.0196
URATE
Uric acid
ME702589
1175
C00366
1.87
167.0205
XANTHINE
Xanthine
ME702587
1188
C00385
2.51
151.026
ISOCITRIC ACID
Isocitric acid
ME702620
1198
C00311
1.07
191.0197
HOMOVANILLATE
Homovanillic acid
ME702623
1738
C05582
7.48
181.0499
4-Hydroxybenzenesulfonic Acid
4-Hydroxybenzenesulfonic acid
ME702652
4765
C12849
7.04
172.9914
L-SERINE
Serine
ME702611
5951
C00065
0.71
104.0348
ASPARTATE
Aspartic acid
ME702644
5960
C00049
0.93
132.0299
L-GLUTAMINE
Glutamine
ME702615
5961
C00064
0.72
145.0616
INOSINE
Inosine
ME702621
6021
C00294
6.12
267.0731
URIDINE
Uridine
ME702588
6029
C00299
2.86
243.0621
L-TYROSINE
Tyrosine
ME702610
6057
C00082
3.38
180.066
L-METHIONINE
Methionine
ME702612
6137
C00073
1.44
148.0434
L-VALINE
Valine
ME702609
6287
C00183
1.12
116.0712
Tryptophan
Tryptophan
ME702591
6305
C00078
7.63
203.0826
L-ISOLEUCINE
Isoleucine
ME702613
6306
C00407
2.36
130.0868
L-ARGININE
Arginine
ME702619
6322
C00062
0.71
173.1038
QUINATE
Quinic acid
ME702597
6508
C00296
0.84
191.056
2',4'-DIHYDROXYACETOPHENONE
2',4'-Dihydroxyacetophenone
ME702658
6990
C03663
9.44
151.0398
5-OXO-L-PROLINE
Pyroglutamic acid
ME702649
7405
C01879
1.84
128.035
CITRULLINE
Citrulline
ME702639
9750
C00327
0.77
174.0884
GLYCOCHOLATE
Glycocholic acid
ME702626
10140
C01921
9.91
464.3008
N-ACETYLGLYCINE
N-Acetylglycine
ME702604
10972
-
1.2
116.035
ALPHA-HYDROXYISOBUTYRIC ACID
2-Hydroxyisobutyric acid
ME702646
11671
-
2.31
103.0394
3-HYDROXYPHENYLACETATE
3-Hydroxyphenylacetic acid
ME702656
12122
C05593
7.46
151.0397
Mono-(2-Ethylhexyl) Phthalate
Monoethylhexyl phthalic acid
ME702607
20393
C03343
13.55
277.1437
Mono-(2-Ethylhexyl) Phthalate Dimer
Monoethylhexyl phthalic acid
ME702606
20393
C03343
13.65
540.3303
N-METHYL-D-ASPARTIC ACID
N-Methyl-D-aspartic acid
ME702600
22880
C12269
0.76
146.0458
D-SACCHARIC ACID
Glucaric acid
ME702633
33037
C00818
0.74
209.0301
N-ACETYL-L-ASPARTIC ACID
N-Acetylaspartic acid
ME702602
65065
C01042
1.59
174.0406
L-CYSTEIC ACID
Cysteic acid
ME702617
72886
C00506
0.73
167.9972
N-ACETYL-L-ALANINE
N-Acetylalanine
ME702603
88064
-
2.24
130.0508
MALATE
Malic acid
ME702608
92824
C00497
1.08
133.0138
Proline
Proline
ME702598
145742
C00148
0.98
114.0556
GLYCERIC ACID
Glyceric acid
ME702627
439194
C00258
0.84
105.0188
N-ACETYL-D-MANNOSAMINE
N-Acetyl-mannosamine
ME702605
439281
-
0.77
256.0586
TARTARIC ACID
Tartaric acid
ME702594
444305
C00898
0.83
149.0089
Arachidonic Acid (20:4)
Arachidonic acid
ME702645
444899
C00219
15.99
303.2334
Fumaric Acid
Fumaric acid
ME702632
444972
C00122
2.07
115.0035
Docosahexaenoic Acid (22:6)
DHA
ME702634
445580
C06429
15.75
327.233
3-SULFINO-L-ALANINE
3-Sulfino-alanine
ME702654
1549098
C00606
0.83
152.0016
P-Cresol Sulfate
p-Cresol sulfate
ME702599
4615423
-
8.48
187.0063
Linoleic Acid (18:2)
Linoleic acid
ME702614
5280450
C01595
16.24
279.2318
ALDOPENTOSE
Aldopentose
ME702648
-
-
0.83
149.0451
C12H22O11-DISACCHARIDE-(6C/6C; GLC-GLC/GLC-FRC/GAL...
-
ME702643
-
-
0.85
341.1089
C6H12O6-HEXOSE/KETOSE/INOSITOL
Hexose
ME702642
-
-
0.76
179.0561
D-GLUCURONIC ACID/D-GLUCURONOLACTONE/D-(+)-GALACTU...
-
ME702636
-
-
0.73
193.0349
DISACCHARIDE (6C/6C)
-
ME702635
-
-
0.79
377.0846
GLUCONIC ACID/D-GULONIC ACID GAMA-LACTONE
Gluconic acid/Gulonolactone
ME702631
-
-
0.75
195.0506
GLUCOSE/FRUCTOSE [M+Cl]-
Hexose
ME702630
-
-
0.73
215.0329
GLYCERALDEHYDE/LACTATE
-
ME702628
-
-
1.22
89.0235
SARCOSINE/BETA-ALANINE
-
ME702596
-
-
0.9
88.0398
THREONINE/HOMOSERINE
Threonine/Homoserine
ME702592
-
-
0.73
118.0509
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