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Return to study ST000446 main page
Analysis: UHPLC 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
ME150929
111
-
1.28
133.0610
4-AMINOBUTANOATE (GABA)
gamma-Aminobutyric acid
ME150930
119
-
0.77
104.0709
N-ACETYL-DL-GLUTAMIC ACID
N-Acetylglutamic acid
ME151069
185
-
2.16
190.0710
ADENINE
Adenine
ME150940
190
-
1.41
136.0619
Anthranilate
2-Aminobenzoic acid
ME150947
227
-
8.62
120.0448
BETAINE
Betaine
ME151022
247
-
0.81
118.0863
Choline
Choline
ME151025
305
-
0.80
104.1071
Hippuric Acid
Hippuric acid
ME151042
464
-
7.94
180.0660
4-GUANIDINOBUTANOATE
4-Guanidinobutanoic acid
ME150931
500
-
1.51
146.0924
CREATINE
Creatine
ME151026
586
-
0.96
132.0772
CREATININE
Creatinine
ME151027
588
-
0.92
114.0663
CYTOSINE
Cytosine
ME151029
597
-
0.86
112.0509
5,6-DIHYDROURACIL
Dihydrouracil
ME150934
649
-
1.26
115.0503
DIMETHYLBENZIMIDAZOLE
Dimethylbenzimidazole
ME151032
675
-
7.34
147.0917
GLUTARATE
Glutaric acid
ME151036
743
-
4.61
155.0314
GLYCINE
Glycine
ME151038
750
-
0.80
76.0394
GUANINE
Guanine
ME151040
764
-
1.46
152.0566
HOMOCYSTEINE
Homocysteine
ME151043
778
-
1.02
136.0430
HYPOXANTHINE
Hypoxanthine
ME151045
790
-
2.01
137.0457
INDOLE-3-ACETATE
Indoleacetic acid
ME151046
802
-
9.16
176.0711
6-DEOXY-HEXOSE
-
ME150937
840
-
0.93
187.0577
KYNURENINE
Kynurenine
ME151049
846
-
6.33
209.0917
Methionine Sulfoxide
Methionine sulfoxide
ME151066
847
-
0.78
166.0537
PHENETHYLAMINE
Phenylethylamine
ME151081
1001
-
6.83
122.0967
PHOSPHOCHOLINE
Choline phosphate
ME151083
1014
-
0.73
184.0734
PICOLINIC ACID
Picolinic acid
ME151084
1018
-
1.31
124.0397
PYRIDOXAL
Pyridoxal
ME151087
1050
-
1.78
168.0650
Orthophosphate
Phosphoric acid
ME151077
1061
-
0.74
98.9844
THYMINE
Thymine
ME151094
1135
-
3.24
127.0503
URACIL
Uracil
ME151100
1174
-
1.37
113.0348
3-HYDROXY-3-METHYLGLUTARATE
3-Hydroxymethylglutaric acid
ME150926
1662
-
3.04
185.0425
3-METHOXYTYRAMINE
3-Methoxytyramine
ME150927
1669
-
6.35
168.1013
Acetaminophen/Paracetamol
Acetaminophen
ME150938
1983
-
7.01
152.0708
Allopurinol
Allopurinol
ME150945
2094
-
6.16
137.0458
Dibutyl phthalate
Dibutyl phthalate
ME151030
3026
-
14.71
279.1589
Kynurenic Acid
Kynurenic acid
ME151048
3845
-
7.67
190.0498
Resorcinol monoacetate
Resorcinol monoacetate
ME151089
5055
-
8.29
153.0545
SEROTONIN
Serotonin
ME151090
5202
-
6.34
177.1025
Trigonelline
Trigonelline
ME151097
5570
-
0.90
138.0549
TYRAMINE
Tyramine
ME151099
5610
-
4.47
138.0917
2-AMINOPHENOL
2-Aminophenol
ME150923
5801
-
1.93
110.0602
4-HYDROXYPROLINE
cis-4-Hydroxyproline
ME150932
5810
-
0.75
132.0657
ASPARTATE
Aspartic acid
ME150949
5960
-
0.82
134.0449
L-GLUTAMINE
Glutamine
ME151057
5961
-
0.85
147.0763
URIDINE
Uridine
ME151101
6029
-
2.79
267.0593
URIDINE-5-MONOPHOSPHATE
UMP
ME151102
6030
-
1.26
325.0438
L-TYROSINE
Tyrosine
ME151063
6057
-
3.25
182.0811
ADENOSINE 5'-MONOPHOSPHATE
AMP
ME150941
6083
-
1.59
348.0713
3'-CMP
3'-CMP
ME150925
6131
-
1.69
324.0590
L-METHIONINE
Methionine
ME151061
6137
-
1.34
150.0588
Phenylalanine
Phenylalanine
ME151082
6140
-
6.05
166.0863
CYTIDINE
Cytidine
ME151028
6175
-
1.50
244.0934
L-ASPARAGINE
Asparagine
ME151053
6267
-
0.71
133.0610
L-HISTIDINE
Histidine
ME151058
6274
-
0.71
156.0768
Tryptophan
Tryptophan
ME151098
6305
-
7.65
205.0976
L-Isoleucine
Isoleucine
ME151060
6306
-
2.03
132.1020
L-ARGININE
Arginine
ME151052
6322
-
0.71
175.1189
Dipropylene glycol
-
ME151033
6510
-
6.46
157.0837
Triethyl phosphate
Triethyl phosphate
ME151096
6535
-
9.33
183.0779
Pantothenic Acid
Pantothenic acid
ME151079
6613
-
6.62
220.1187
Pyroglutamic Acid
Pyroglutamic acid
ME151088
7405
-
1.79
130.0500
Bis(2-ethylhexyl) phthalate
Bis(2-ethylhexyl)phthalate
ME151023
8343
-
16.63
391.2843
Monobutyl phthalate
Monobutylphthalate
ME151068
8575
-
12.41
223.0962
Homocystine
Homocystine
ME151044
10100
-
1.01
269.0619
2,4-DIHYDROXYPTERIDINE
Lumazine
ME150922
10250
-
3.50
165.0410
L-CARNITINE
Carnitine
ME151054
10917
-
0.90
162.1126
1,2-Benzisothiazolin-3-one
1,2-Benzisothiazol-3(2H)-one
ME150921
17520
-
9.96
152.0165
N-Butylbenzenesulfonamide
-
ME151076
19241
-
11.96
214.0883
Sulcatol
(R)-Sulcatol
ME151092
20745
-
8.97
129.1278
L-GLUTAMIC ACID
Glutamic acid
ME151056
33032
-
0.76
148.0607
PEG n5
Pentaethylene glycol
ME151080
62551
-
7.07
261.1315
5-METHYLCYTOSINE HYDROCLORIDE
5-Methylcytosine
ME150936
65040
-
1.13
126.0664
N-ACETYL-L-ASPARTIC ACID
N-Acetylaspartic acid
ME151071
65065
-
1.62
176.0557
Glutathione Disulfide
Oxidized glutathione
ME151037
65359
-
3.82
307.0835
Isocytosine
2-Amino-4-hydroxypyrimidine
ME151047
66950
-
1.49
112.0505
N-ACETYL-L-LEUCINE
N-Acetylleucine
ME151072
70912
-
7.77
174.1122
METHYL INDOLE-3-ACETATE
Indole-3-methyl acetate
ME151067
74706
-
10.71
190.0866
Glycyl-L-leucine
Gly-Leu
ME151039
92843
-
6.80
189.1233
N-ALPHA-ACETYL-L-LYSINE
N(2)-Acetyllysine
ME151075
92907
-
1.24
189.1234
4-IMIDAZOLEACETIC ACID
Imidazoleacetic acid
ME150933
96215
-
0.93
127.0503
Proprionylcarnitine
CAR DC3:0
ME151086
107738
-
6.69
218.1389
Stachydrine
Stachydrine
ME151091
115244
-
1.03
144.1023
N-ACETYLPUTRESCINE
N-Acetylputrescine
ME151074
122356
-
1.07
131.1179
L-HOMOCYSTEINE THIOLACTONE
L-Homocysteine thiolactone
ME151059
134505
-
0.94
118.0325
3-METHYL-2-OXINDOLE
3-Methyloxindole
ME150928
150923
-
8.66
148.0761
N-ACETYL-DL-SERINE
N-Acetylserine
ME151070
352294
-
1.06
148.0606
5'-DEOXYADENOSINE
5'-Deoxyadenosine
ME150935
439182
-
6.01
252.1094
N-ACETYLNEURAMINATE
N-Acetylneuraminic acid
ME151073
439197
-
0.80
310.1121
PIPECOLATE/L-PIPECOLIC ACID
Pipecolic acid
ME151085
439227
-
1.29
130.0866
L-2-PHOSPHOGLYCERIC ACID
2-Phosphoglyceric acid
ME151050
439278
-
0.76
187.0002
TRANS-CINNAMATE
trans-Cinnamic acid
ME151095
444539
-
9.78
149.0595
Erucamide
13Z-Docosenamide
ME151034
5365371
-
16.88
338.3417
3,5-Di-tert-butylbenzaldehyde
-
ME150924
6440942
-
14.31
219.1740
L-Acetylcarnitine
CAR 2:0
ME151051
7045767
-
3.81
204.1232
LysoPE (18:1)
LPE 18:1
ME151065
9547071
-
13.64
480.3075
Dihydroxyquinoine
Dihydroxyquinoline
ME151031
54680871
-
8.10
162.0550
Acyl-Carnitine(4-OH)
CAR 4:0;OH
ME150939
-
-
5.48
248.1494
ALANINE/SARCOSINE
Alanine/Sarcosine
ME150942
-
-
0.94
90.0551
ALDO/KETO-HEXOSE
Hexose
ME150943
-
-
0.75
203.0527
ALDOPENTOSE
Aldopentose
ME150944
-
-
0.85
173.0425
ALPHA-AMINOADIPATE/N-METHYL-L-GLUTAMATE
-
ME150946
-
-
0.89
162.0764
ANTHRANILATE/4-AMINOBENZOATE
-
ME150948
-
-
7.99
138.0553
C5-SUGAR ALCOHOL
Dihydroxyquinoline
ME151024
-
-
0.74
175.0583
Garcinia lactone dibutyl ester
-
ME151035
-
-
8.74
325.1240
HEXOSE-DISACCHARIDE
Hexose disaccharide
ME151041
-
-
0.80
365.1055
Leu Pro
Leu-Pro
ME151055
-
-
7.27
229.1552
L-Tryptophan 13C11
Tryptophan
ME151062
-
-
7.55
216.1337
L-VALINE/5-AMINOPENTANOATE/L-NORVALINE
-
ME151064
-
-
1.07
118.0865
OxPC (20:3(KeKe))
-
ME151078
-
-
7.02
588.2988
THREONINE/HOMOSERINE
Threonine/Homoserine
ME151093
-
-
0.73
120.0656
Analysis: UHPLC 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
ME151113
47
-
6.72
129.0561
4-METHYL-2-OXO-PENTANOIC ACID
Ketoleucine
ME151116
70
-
7.32
129.0561
4-Hydroxyphenylacetate
4-Hydroxyphenyl acetate
ME151115
127
-
8.24
151.0403
5-HYDROXY-L-TRYPTOPHAN
5-Hydroxy-tryptophan
ME151118
144
-
6.04
219.0780
N-ACETYL-DL-GLUTAMIC ACID
N-Acetylglutamic acid
ME151154
185
-
2.17
188.0568
ADENINE
Adenine
ME151120
190
-
1.43
134.0473
ANTHRANILATE_R1
2-Aminobenzoic acid
ME151123
227
-
7.97
136.0406
ANTHRANILATE_R2
2-Aminobenzoic acid
ME151124
227
-
7.85
136.0407
HYPOXANTHINE
Hypoxanthine
ME151146
790
-
2.02
135.0316
INDOLE-3-ACETATE
Indoleacetic acid
ME151147
802
-
9.16
174.0565
3-(2-HYDROXYPHENYL)PROPANOATE
3-(2-Hydroxyphenyl)propanoic acid
ME151105
873
-
8.74
165.0560
PHOSPHOCHOLINE
Choline phosphate
ME151162
1014
-
0.77
218.0346
SUCCINATE
Succinic acid
ME151163
1110
-
2.26
117.0196
XANTHINE
Xanthine
ME151165
1188
-
2.48
151.0261
2,4-Dinitrophenol (herbicide)
2,4-Dinitrophenol
ME151103
1493
-
11.02
183.0046
3-HYDROXY-3-METHYLGLUTARATE
3-Hydroxymethylglutaric acid
ME151110
1662
-
3.04
161.0459
HOMOVANILLATE
Homovanillic acid
ME151145
1738
-
7.50
181.0506
3-tert-Butyladipic acid
Sebacic acid
ME151114
5192
-
9.88
201.1131
L-TYROSINE
Tyrosine
ME151150
6057
-
3.24
180.0668
ADENOSINE 5'-MONOPHOSPHATE
AMP
ME151121
6083
-
1.61
346.0556
3'-CMP_R1
3'-CMP
ME151108
6131
-
1.58
322.0456
3'-CMP_R2
3'-CMP
ME151109
6131
-
1.70
322.0455
L-METHIONINE
Methionine
ME151149
6137
-
1.34
148.0439
Monobutyl phthalate
Monobutylphthalate
ME151153
8575
-
11.43
221.0818
3-HYDROXYPHENYLACETATE
3-Hydroxyphenylacetic acid
ME151112
12122
-
7.46
151.0402
6-Hydroxycaproic acid
6-Hydroxycaproic acid
ME151119
14490
-
7.98
131.0714
3-Hydroxydecanoic acid
3-Hydroxydecanoic acid
ME151111
26612
-
11.33
187.1343
N-ACETYL-L-ALANINE
N-Acetylalanine
ME151157
88064
-
2.19
130.0511
MALATE
Malic acid
ME151152
92824
-
1.00
133.0145
NALPHA-ACETYL-L-LYSINE
N(2)-Acetyllysine
ME151159
92907
-
1.25
187.1089
4-oxoproline
4-Oxo-proline
ME151117
107541
-
1.70
128.0353
Erythrose 4-Phosphate
Erythrose 4-phosphate
ME151141
122357
-
0.82
199.0013
GLUTATHIONE
Glutathione
ME151143
124886
-
1.54
306.0768
3-AMINO-5-HYDROXYBENZOIC ACID
3-Amino-5-hydroxybenzoic acid
ME151107
127115
-
1.93
152.0354
3,4-Dihydroxybenzenesulfonic Acid
3,4-Dihydroxybenzenesulfonic acid
ME151106
189003
-
6.60
188.9861
N-ACETYL-DL-SERINE
N-Acetylserine
ME151155
352294
-
1.05
146.0460
GLYCERIC ACID
Glyceric acid
ME151144
439194
-
0.82
105.0191
N-ACETYLNEURAMINATE
N-Acetylneuraminic acid
ME151158
439197
-
0.80
308.0995
L-2-PHOSPHOGLYCERIC ACID
2-Phosphoglyceric acid
ME151148
439278
-
0.77
184.9860
N-ACETYL-D-MANNOSAMINE
N-Acetyl-mannosamine
ME151156
439281
-
0.99
256.0593
N-METHYL-L-GLUTAMATE
N-Methyl-glutamic acid
ME151160
439377
-
0.88
160.0618
TARTARIC ACID
Tartaric acid
ME151164
444305
-
0.82
149.0090
P-Cresol Sulfate
p-Cresol sulfate
ME151161
4615423
-
8.51
187.0070
Ascorbic acid
Vitamin C
ME151125
54670067
-
1.27
175.0237
2-deoxy-D-galactose (fructose/glucose)
-
ME151104
-
-
1.04
163.0612
ALDOPENTOSE
Aldopentose
ME151122
-
-
0.86
149.0459
C6H12O6-HEXOSE/KETOSE/INOSITOL
Hexose
ME151139
-
-
0.81
179.0559
DISACCHARIDE (6C/6C)/2-alpha-D-glucosyl-D-glucose
-
ME151140
-
-
0.80
377.0859
GLUCONIC ACID/D-GULONIC ACID GAMA-LACTONE
Gluconic acid/Gulonolactone
ME151142
-
-
0.74
195.0508
LysoPI (23:0)
LPI 23:0
ME151151
-
-
9.68
669.3990
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