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Return to study ST000353 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
(R)-MALATE
D-Malic acid
ME120255
92824
C00497
1.06
157.0111
1-AMINOCYCLOPROPANE-1-CARBOXYLATE
1-Aminocyclopropanecarboxylic acid
ME120496
535
C01234
0.75
102.0551
4-AMINOBUTANOATE
gamma-Aminobutyric acid
ME120772
119
C00334
0.78
104.0707
4-GUANIDINOBUTANOATE
4-Guanidinobutanoic acid
ME120773
500
-
1.51
146.0926
4-HYDROXY-L-PHENYLGLYCINE
4-Hydroxyphenylglycine
ME120774
36143
C12323
0.80
168.0655
5'-DEOXYADENOSINE
5'-Deoxyadenosine
ME120781
439182
C05198
5.99
252.1096
6C-SUGAR ALCOHOL
-
ME120782
-
-
0.73
205.0688
a-Ketoglutaric Acid
2-Oxoglutaric acid
ME120791
51
-
1.08
147.0290
ALANINE/SARCOSINE
Alanine/Sarcosine
ME120792
-
-
0.72
90.0551
ALDO/KETO-HEXOSE
Hexose
ME120793
-
-
0.74
203.0523
Allopurinol
Allopurinol
ME120794
2094
-
6.07
137.0461
ALPHA-AMINOADIPATE/N-METHYL-L-GLUTAMATE
-
ME120795
-
-
0.81
162.0761
Anthranilate
2-Aminobenzoic acid
ME120796
227
C00108
8.64
120.0445
Arachadonic acid
-
ME120797
-
-
14.97
305.2467
ASPARTATE
Aspartic acid
ME120798
5960
-
0.71
134.0451
BETAINE
Betaine
ME120799
247
-
0.79
118.0863
Bis(2-ethylhexyl) phthalate
Bis(2-ethylhexyl)phthalate
ME120800
8343
-
16.77
391.2846
C5-SUGAR ALCOHOL
Dihydroxyquinoline
ME120801
-
-
0.70
175.0584
CAFFEATE
Caffeic acid
ME120802
1549111
C01481
7.58
181.0493
Caffeine 13C3
Caffeine
ME120803
-
-
7.91
198.0980
Caffeine-D3
Caffeine
ME120804
13001298
-
7.90
198.1062
Camphor
Camphor
ME120805
2537
-
9.90
153.1273
CITRATE_R1
Citric acid
ME120806
311
-
1.86
215.0157
CITRATE_R2
Citric acid
ME120807
311
-
1.86
193.0347
CITRULLINE
Citrulline
ME120808
9750
-
0.78
176.1029
CREATINE
Creatine
ME120809
586
-
0.81
132.0769
Creatine-D3
Creatine
ME120810
-
-
0.81
135.0957
CYTOSINE
Cytosine
ME120811
597
-
0.81
112.0506
Dibutyl phthalate
Dibutyl phthalate
ME120812
3026
-
14.75
279.1586
DIETHANOLAMINE
Diethanolamine
ME120813
8113
-
0.74
106.0863
Dipropylene glycol
-
ME120814
-
-
6.45
157.0834
Erucamide
13Z-Docosenamide
ME120815
5365371
-
16.94
338.3419
ERYTHRITOL
Erythritol
ME120816
222285
-
0.81
145.0498
Eugenol/Isoeugenol
-
ME120817
-
-
13.94
165.0914
GLUCOSAMINE/MANNOSAMINE
-
ME120818
-
-
0.78
180.0870
Glutathione Disulfide
Oxidized glutathione
ME120819
65359
-
3.83
307.0835
GLYCEROL
Glycerol
ME120820
753
-
0.81
115.0393
GUANINE
Guanine
ME120821
764
-
1.42
152.0570
HEXOSE-6-PHOSPHATE
Hexose 6-phosphate
ME120822
-
C02965
0.72
261.0367
HEXOSE-DISACCHARIDE
Hexose disaccharide
ME120823
-
-
0.82
365.1057
Ibuprofen
Ibuprofen
ME120824
3672
C01588
8.09
207.1377
ISOCITRIC ACID_R1
Isocitric acid
ME120825
1198
-
1.03
215.0157
ISOCITRIC ACID_R2
Isocitric acid
ME120826
1198
-
1.03
193.0348
Isocytosine
2-Amino-4-hydroxypyrimidine
ME120827
66950
-
1.65
112.0506
L-(+)-Lactic Acid
Lactic acid
ME120828
107689
C00186
0.81
91.0390
L-CARNITINE
Carnitine
ME120829
10917
-
0.81
162.1123
Leucine
Leucine
ME120830
857
C00123
2.38
132.1021
L-GLUTAMIC ACID
Glutamic acid
ME120831
33032
-
0.75
148.0604
L-GLUTAMINE
Glutamine
ME120832
5961
C00064
0.72
147.0767
L-Isoleucine
Isoleucine
ME120833
6306
C00407
2.08
132.1021
LL-2,6-DIAMINOHEPTANEDIOATE
2,6-Diaminopimelic acid
ME120834
439283
-
0.80
191.1026
L-Leucine-D10
Leucine
ME120835
16213587
-
2.35
142.1650
L-METHIONINE
Methionine
ME120836
6137
-
1.34
150.0584
L-PROLINE
Proline
ME120837
145742
C00148
0.78
116.0707
L-TYROSINE
Tyrosine
ME120838
6057
-
3.27
182.0812
LysoPC (16:0)
LPC 16:0
ME120839
460602
C04230
13.67
496.3393
LysoPE (18:1)
LPE 18:1
ME120840
9547071
-
13.59
480.3084
METHYL BETA-D-GALACTOSIDE
Methyl beta-D-galactoside
ME120841
94214
C03619
1.03
217.0683
Monobutyl phthalate
Monobutylphthalate
ME120842
8575
-
12.44
223.0964
N-ACETYLNEURAMINATE
N-Acetylneuraminic acid
ME120843
439197
-
0.80
310.1123
N-ALPHA-ACETYL-L-LYSINE_R1
N(2)-Acetyllysine
ME120844
92907
-
0.93
189.1231
N-ALPHA-ACETYL-L-LYSINE_R2
N(2)-Acetyllysine
ME120845
92907
-
1.12
189.1231
N-Butylbenzenesulfonamide
-
ME120846
19241
-
11.92
214.0899
NONANOATE
Pelargonic acid
ME120847
8158
-
11.60
181.1222
Orthophosphate
Phosphoric acid
ME120848
-
-
0.71
98.9842
Palmitoleic acid
Palmitoleic acid
ME120849
445638
C08362
14.24
255.2318
Pantothenic Acid
Pantothenic acid
ME120850
6613
-
6.61
220.1183
PEG n5
Pentaethylene glycol
ME120851
-
-
7.07
261.1308
PHENETHYLAMINE
Phenylethylamine
ME120852
1001
C05332
6.77
122.0964
Phenylalanine
Phenylalanine
ME120853
6140
C00079
6.14
166.0863
Phenylalanine-HCOOH
-
ME120854
-
-
6.14
120.0808
PHOSPHOCHOLINE
Choline phosphate
ME120855
1014
-
0.72
184.0731
PICOLINIC ACID
Picolinic acid
ME120856
1018
-
1.30
124.0398
PIPECOLATE/L-PIPECOLIC ACID
Pipecolic acid
ME120857
439227
-
1.21
130.0863
PYRIDOXAL
Pyridoxal
ME120858
1050
-
1.78
168.0656
Pyroglutamic Acid
Pyroglutamic acid
ME120859
7405
C01879
1.77
130.0501
QUINATE_R1
Quinic acid
ME120860
6508
-
0.80
193.0705
QUINATE_R2
Quinic acid
ME120861
6508
-
0.89
215.0547
SPERMIDINE
Spermidine
ME120862
1102
-
0.74
146.1648
STACHYOSE
Stachyose
ME120863
439531
C01613
0.81
689.2117
SUCCINATE
Succinic acid
ME120864
1110
-
2.24
141.0158
Sulcatol
(R)-Sulcatol
ME120865
20745
-
8.98
129.1275
THREONINE/HOMOSERINE
Threonine/Homoserine
ME120866
-
-
0.72
120.0656
TRANS-CINNAMATE
trans-Cinnamic acid
ME120867
444539
C00423
9.73
149.0600
Triethyl phosphate
Triethyl phosphate
ME120868
6535
-
9.33
183.0784
Trigonelline_R1
Trigonelline
ME120869
5570
-
0.81
138.0552
Trigonelline_R2
Trigonelline
ME120870
5570
-
0.96
138.0552
Tryptophan
Tryptophan
ME120871
6305
C00078
7.65
205.0973
Tryptophan-2,3,3-D3
Tryptophan
ME120872
-
-
7.65
208.1157
Tryptophan-NH3
Tryptophan
ME120873
-
C00078
7.65
188.0704
URATE
Uric acid
ME120874
1175
-
1.78
169.0359
UROCANATE
Urocanic acid
ME120875
736715
-
1.87
139.0506
Analysis: UHPLC NEGATIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
2,3-DIHYDROXYBENZOATE
2-Pyrocatechuic acid
ME120924
19
C00196
7.56
153.0188
2',4'-DIHYDROXYACETOPHENONE
2',4'-Dihydroxyacetophenone
ME120925
6990
C03663
8.99
151.0397
2,5-DIHYDROXYBENZOATE
Gentisic acid
ME120926
3469
C00628
7.25
153.0189
3-(4-HYDROXYPHENYL)LACTATE
Hydroxyphenyllactic acid
ME120989
9378
-
6.89
181.0502
3,4-DIHYDROXYBENZOATE
Protocatechuic acid
ME120990
72
C00230
6.90
153.0189
3,4-DIHYDROXYPHENYLACETATE
3,4-Dihydroxybenzeneacetic acid
ME120991
547
C01161
7.02
167.0341
3-HYDROXYPHENYLACETATE
3-Hydroxyphenylacetic acid
ME121047
12122
C05593
7.47
151.0397
3-methyladipic acid
3-Methyladipic acid
ME121048
12292
-
7.88
159.0659
3-tert-Butyladipic acid
Sebacic acid
ME121049
98967
-
9.89
201.1126
5-OXO-L-PROLINE/4-Oxoproline
-
ME121090
-
-
1.79
128.0349
6-Hydroxycaproic acid
6-Hydroxycaproic acid
ME121091
14490
-
7.78
131.0710
6-PHOSPHOGLUCONIC ACID
6-Phosphogluconic acid
ME121092
91493
-
0.91
275.0206
ADENINE
Adenine
ME121096
190
-
1.38
134.0469
ADP
ADP
ME121097
6022
C00008
0.81
426.0202
ALDOPENTOSE
Aldopentose
ME121098
-
-
0.80
149.0450
ALPHA-KETOGLUTARIC ACID
2-Oxoglutaric acid
ME121099
51
C00026
1.25
145.0139
Arachidonic Acid (20:4)
Arachidonic acid
ME121100
444899
C00219
16.04
303.2320
ASPARAGINE
Asparagine
ME121101
6267
-
0.70
131.0459
ASPARTATE
Aspartic acid
ME121102
83887
-
0.71
132.0298
BENZOATE
Benzoic acid
ME121103
243
C00180
8.57
121.0292
C12H22O11-DISACCHARIDE-(6C/6C; GLC-GLC/GLC-FRC/GAL...
-
ME121104
-
-
0.80
341.1086
C6H12O6-HEXOSE/KETOSE/INOSITOL
Hexose
ME121105
-
-
0.80
179.0554
CITRATE
Citric acid
ME121106
311
-
1.90
191.0189
CITRIC ACID-13C6
Citric acid
ME121107
16217547
-
1.90
197.0392
D-(+)-RAFFINOSE
Raffinose
ME121108
439242
C00492
0.80
503.1595
D-GLUCURONIC ACID/D-GLUCURONOLACTONE/D-(+)-GALACTU...
-
ME121109
-
-
0.76
193.0346
Dinoterb (herbicide)
-
ME121110
-
-
14.36
239.0678
DISACCHARIDE (6C/6C)
-
ME121111
-
-
0.79
377.0844
D-SACCHARIC ACID
Glucaric acid
ME121112
33037
C00818
0.75
209.0296
FERULATE
trans-Ferulic acid
ME121113
445858
C01494
8.41
193.0498
Fumaric Acid
Fumaric acid
ME121114
444972
-
1.96
115.0033
GLUCONIC ACID/D-GULONIC ACID GAMA-LACTONE
Gluconic acid/Gulonolactone
ME121115
-
-
0.74
195.0504
GLUCOSE/FRUCTOSE [M+Cl]-
Hexose
ME121116
-
-
0.74
215.0320
GLUCOSE/FRUCTOSE [M+Cl]- isotope
Hexose
ME121117
-
-
0.74
217.0292
Glyceraldehyde
Glyceraldehyde
ME121118
751
C02154
0.77
89.0236
GLYCERALDEHYDE/LACTATE
-
ME121119
-
-
1.25
89.0237
GLYCERIC ACID
Glyceric acid
ME121120
439194
-
0.81
105.0187
GLYCOLATE
Glycolic acid
ME121121
757
C00160
0.94
75.0079
Guanosine
Guanosine
ME121122
6802
C00387
6.22
282.0839
HEXOSE ALCOHOL
-
ME121123
-
-
0.74
181.0711
HOMOVANILLATE
Homovanillic acid
ME121124
1738
C05582
7.91
181.0499
Inosine
Inosine
ME121125
6021
C00294
0.80
267.0710
L-2-PHOSPHOGLYCERIC ACID
2-Phosphoglyceric acid
ME121126
439278
-
0.73
184.9850
L-CYSTEIC ACID
Cysteic acid
ME121127
72886
C00506
0.72
167.9967
Linoleic Acid (18:2)
Linoleic acid
ME121128
5280450
C01595
16.30
279.2320
MALATE
Malic acid
ME121129
92824
-
0.91
133.0139
MALONATE
Malonic acid
ME121130
867
C00383
1.19
103.0031
Mono-(2-Ethylhexyl) Phthalate
Monoethylhexyl phthalic acid
ME121131
20393
C03343
13.58
277.1440
Mono-(2-Ethylhexyl) Phthalate Dimer
Monoethylhexyl phthalic acid
ME121132
20393
C03343
13.68
540.3305
Monobutyl phthalate
Monobutylphthalate
ME121133
8575
-
11.45
221.0812
N-METHYL-D-ASPARTIC ACID
N-Methyl-D-aspartic acid
ME121134
22880
C12269
0.75
146.0455
QUINATE
Quinic acid
ME121135
6508
C00296
0.79
191.0555
Salicylic Acid-D4
Salicylic acid
ME121136
46782907
-
9.98
141.0493
STACHYOSE
Stachyose
ME121137
439531
C01613
1.14
665.2120
SUCCINATE
Succinic acid
ME121138
1110
-
2.26
117.0190
Succinic-2,2,3,3-D4 Acid
-
ME121139
-
-
2.22
121.0441
TARTARIC ACID
Tartaric acid
ME121140
444305
C00898
0.81
149.0085
THEOPHYLLINE
Theophylline
ME121141
2153
C07130
6.97
179.0557
URIDINE
Uridine
ME121142
6029
-
2.79
243.0614
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