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Return to study ST000555 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
ASPARTATE
Aspartic acid
ME166536
5960
-
0.70
134.0444
TAURINE
Taurine
ME166643
1123
-
0.70
126.0219
N(PAI)-METHYL-L-HISTIDINE
3-Methylhistidine
ME166606
64969
-
0.71
170.0921
PHOSPHOCHOLINE
Choline phosphate
ME166633
1014
-
0.71
184.0729
ALANINE/SARCOSINE
Alanine/Sarcosine
ME166532
-
-
0.72
90.0550
L-GLUTAMINE
Glutamine
ME166582
5961
-
0.72
147.0766
THREONINE/HOMOSERINE
Threonine/Homoserine
ME166645
-
-
0.72
120.0656
SN-GLYCEROL 3-PHOSPHATE
sn-Glycero-3-phosphate
ME166640
439162
-
0.73
173.0209
Glycerophosphocholine
sn-Glycero-3-phosphocholine
ME166567
71920
-
0.75
258.1096
N-METHYL-D-ASPARTIC ACID
N-Methyl-D-aspartic acid
ME166621
22880
-
0.75
148.0603
Methionine Sulfoxide
Methionine sulfoxide
ME166604
847
-
0.76
166.0530
CITRULLINE_R1
Citrulline
ME166544
9750
-
0.77
176.1026
GUANIDINOACETATE
Guanidoacetic acid
ME166568
763
-
0.77
118.0611
L-CYSTEINE
Cysteine
ME166578
5862
-
0.77
122.0268
GLYCEROL
Glycerol
ME166566
753
-
0.78
115.0365
N-ACETYLNEURAMINATE
N-Acetylneuraminic acid
ME166612
439197
-
0.78
310.1121
4-AMINOBUTANOATE (GABA)
gamma-Aminobutyric acid
ME166523
119
-
0.79
104.0708
Choline
Choline
ME166542
305
-
0.82
104.1071
L-PROLINE
Proline
ME166587
145742
-
0.84
116.0708
Orthophosphate
Phosphoric acid
ME166625
1061
-
0.84
98.9844
CREATINE
Creatine
ME166547
586
-
0.88
132.0769
Creatine-D3
Creatine
ME166548
-
-
0.88
135.0955
ALPHA-AMINOADIPATE/N-METHYL-L-GLUTAMATE_R1
-
ME166534
-
-
0.90
162.0756
N-Methylnicotinamide
N-Methylnicotinamide
ME166622
64950
-
0.90
137.0711
QUINATE
Quinic acid
ME166638
6508
-
0.90
215.0485
CYTOSINE
Cytosine
ME166551
597
-
0.91
112.0508
D-Ribose
Ribose
ME166562
10975657
-
0.93
173.0426
DL-5-HYDROXYLYSINE
5-Hydroxylysine
ME166560
1029
-
0.95
163.1093
ISOCITRIC ACID
Isocitric acid
ME166574
1198
-
0.95
215.0164
L-CARNITINE
Carnitine
ME166577
10917
-
0.95
162.1121
4-IMIDAZOLEACETIC ACID
Imidazoleacetic acid
ME166525
96215
-
0.96
127.0500
CITRULLINE_R2
Citrulline
ME166545
9750
-
0.97
176.1026
CMP
CMP
ME166546
6131
-
1.01
324.0589
ALPHA-AMINOADIPATE/N-METHYL-L-GLUTAMATE_R2
-
ME166535
-
-
1.02
162.0757
(R)-MALATE
D-Malic acid
ME166512
92824
-
1.04
157.0105
N-ALPHA-ACETYL-L-LYSINE_R1
N(2)-Acetyllysine
ME166614
92907
-
1.05
189.1237
CYS-GLY
Cys-Gly
ME166549
439498
-
1.06
179.0459
L-VALINE/5-AMINOPENTANOATE/L-NORVALINE
-
ME166590
-
-
1.11
118.0865
N-ACETYLPUTRESCINE
N-Acetylputrescine
ME166613
122356
-
1.12
131.1177
BOC-D-Phenylalanine
-
ME166538
637610
-
11.44
166.0866
NONANOATE_R2
Pelargonic acid
ME166624
8158
-
11.47
181.1226
D-GLYCERIC ACID
Glyceric acid
ME166555
439194
-
1.15
129.0183
NONANOATE_R1
Pelargonic acid
ME166623
8158
-
11.77
181.1226
N-Butylbenzenesulfonamide
-
ME166619
19241
-
11.91
214.0893
PIPECOLATE/L-PIPECOLIC ACID
Pipecolic acid
ME166634
439227
-
1.20
130.0863
N-ALPHA-ACETYL-L-LYSINE_R2
N(2)-Acetyllysine
ME166615
92907
-
1.22
189.1236
Monobutyl phthalate
Monobutylphthalate
ME166605
8575
-
12.43
223.0962
DEOXYCARNITINE
3-Dehydroxycarnitine
ME166552
725
-
1.26
146.1179
LysoPC (16:1)
LPC 16:1
ME166593
24779461
-
12.63
494.3240
LysoPE (20:4)_R2
LPE 20:4
ME166599
-
-
12.70
502.2943
LysoPE (22:6)_R2
LPE 22:6
ME166603
-
-
12.77
526.2924
5,6-DIHYDROURACIL
Dihydrouracil
ME166526
649
-
1.28
115.0503
LysoPE (20:4)_R1
LPE 20:4
ME166598
-
-
12.88
502.2941
LysoPE (22:6)_R1
LPE 22:6
ME166602
-
-
12.90
526.2923
LysoPC (22:6)
LPC 22:6
ME166595
-
-
12.96
568.3417
LysoPC (16:0)_R2
LPC 16:0
ME166592
-
-
13.38
518.3218
URACIL
Uracil
ME166651
1174
-
1.34
113.0347
LysoPE (18:1)
LPE 18:1
ME166597
9547071
-
13.46
480.3063
LysoPE (22:4)_R2
LPE 22:4
ME166601
-
-
13.47
530.3234
LysoPC (16:0)_R1
LPC 16:0
ME166591
460602
-
13.53
496.3397
LysoPE (22:4)_R1
LPE 22:4
ME166600
-
-
13.59
530.3234
LysoPC (20:4)
LPC 20:4
ME166594
-
-
13.63
544.3391
Diphenylamine
Diphenylamine
ME166558
11487
-
13.70
170.0963
GUANINE
Guanine
ME166569
764
-
1.40
152.0543
L-METHIONINE
Methionine
ME166585
6137
-
1.40
150.0583
N-ACETYL-L-ASPARTIC ACID
N-Acetylaspartic acid
ME166611
65065
-
1.40
176.0549
Palmitoleic acid_R1
Palmitoleic acid
ME166627
445638
-
14.06
255.2312
(S)-DIHYDROOROTATE
4,5-Dihydroorotic acid
ME166513
439216
-
1.41
159.0416
3,5-Di-tert-butylbenzaldehyde_R2
-
ME166520
6440942
-
14.16
219.1741
3-DEHYDROSHIKIMATE
3-Dehydroshikimate
ME166521
439774
-
1.42
195.0288
Palmitoleic acid_R2
Palmitoleic acid
ME166628
445638
-
14.24
255.2312
3,5-Di-tert-butylbenzaldehyde_R1
-
ME166519
6440942
-
14.31
219.1742
LysoPE (18:0)
LPE 18:0
ME166596
-
-
14.50
482.3243
ADENINE
Adenine
ME166530
190
-
1.46
136.0615
Dibutyl phthalate
Dibutyl phthalate
ME166556
3026
-
14.73
279.1581
ADENOSINE 5'-MONOPHOSPHATE
AMP
ME166531
6083
-
1.52
348.0710
N-Acetyl-Arginine
N-Acetylarginine
ME166608
67427
-
1.57
217.1297
Dicyclohexyl phthalate
Dicyclohexyl phthalate
ME166557
6777
-
15.70
331.1900
NICOTINAMIDE
Niacinamide
ME166620
936
-
1.58
123.0555
CYTIDINE
Cytidine
ME166550
6175
-
1.59
244.0921
Isocytosine
2-Amino-4-hydroxypyrimidine
ME166575
66950
-
1.60
112.0508
4-GUANIDINOBUTANOATE
4-Guanidinobutanoic acid
ME166524
500
-
1.61
146.0923
Bis(2-ethylhexyl) phthalate
Bis(2-ethylhexyl)phthalate
ME166537
8343
-
16.68
391.2835
Erucamide
13Z-Docosenamide
ME166563
5365371
-
16.98
338.3413
5-OXO-L-PROLINE
Pyroglutamic acid
ME166528
7405
-
1.75
130.0497
URATE
Uric acid
ME166652
1175
-
1.77
169.0356
UROCANATE
Urocanic acid
ME166654
736715
-
1.83
139.0501
CITRATE
Citric acid
ME166543
311
-
1.84
215.0164
PYRIDOXAL
Pyridoxal
ME166636
1050
-
1.91
168.0653
HYPOXANTHINE
Hypoxanthine
ME166571
790
-
1.96
137.0460
O-SUCCINYL-L-HOMOSERINE
o-Succinylhomoserine
ME166626
439406
-
1.97
220.0819
N-ACETYL-DL-GLUTAMIC ACID
N-Acetylglutamic acid
ME166609
185
-
2.14
190.0709
DEOXYCYTIDINE
Deoxycytidine
ME166553
13711
-
2.23
228.0983
SUCCINATE
Succinic acid
ME166641
1110
-
2.24
141.0160
Tetrahydrothiophene-1-oxide
Tetrahydrothiophene-1-oxide
ME166644
1128
-
2.24
105.0367
LEUCINE_R2
Leucine
ME166581
857
-
2.25
132.1021
3,4-DIHYDROXY-L-PHENYLALANINE
DOPA
ME166517
6047
-
2.31
198.0763
N-ACETYL-L-ALANINE
N-Acetylalanine
ME166610
88064
-
2.31
154.0458
L-Leucine-D10
Leucine
ME166584
16213587
-
2.54
142.1646
LEUCINE_R1
Leucine
ME166580
857
-
2.57
132.1021
L-Leucine 13C6
Leucine
ME166583
-
-
2.58
138.1222
URIDINE
Uridine
ME166653
6029
-
2.74
267.0576
PYRIDOXINE
Pyridoxine
ME166637
1054
-
2.76
170.0791
3-HYDROXY-3-METHYLGLUTARATE
3-Hydroxymethylglutaric acid
ME166522
1662
-
2.92
185.0418
DOPAMINE
Dopamine
ME166561
681
-
2.97
154.0864
THYMINE
Thymine
ME166646
1135
-
3.23
127.0501
2-Hydroxyphenylalanine
2-Hydroxy-L-Phenylalanine
ME166516
6950574
-
3.43
182.0815
L-Tyrosine 13C6
Tyrosine
ME166589
-
-
3.43
188.1014
Glutathione Disulfide
Oxidized glutathione
ME166565
65359
-
3.96
307.0835
DEOXYURIDINE
Deoxyuridine
ME166554
13712
-
4.38
251.0635
N1-Methyl-4-pyridone-5-carboxamide
N1-Methyl-4-pyridone-3-carboxamide
ME166607
440810
-
4.96
153.0660
2'-DEOXYGUANOSINE
Deoxyguanosine
ME166515
187790
-
5.74
268.1038
Allopurinol
Allopurinol
ME166533
2094
-
6.09
137.0460
ETHYLMALONIC ACID
Ethylmalonic acid
ME166564
11756
-
6.10
133.0496
INOSINE
Inosine
ME166572
6021
-
6.10
269.0871
GUANOSINE
Guanosine
ME166570
6802
-
6.24
284.0981
L-Phenylalanine 13C6
Phenylalanine
ME166586
-
-
6.31
172.1066
Phenylalanine
Phenylalanine
ME166632
6140
-
6.32
166.0866
Dipropylene glycol
-
ME166559
6510
-
6.49
157.0833
Pantothenic Acid
Pantothenic acid
ME166629
6613
-
6.63
220.1175
Acyl-Carnitine(5-OH)
CAR 5:0;OH
ME166529
-
-
6.71
262.1648
Proprionylcarnitine
CAR DC3:0
ME166635
107738
-
6.75
218.1390
SEROTONIN-NH3
Serotonin
ME166639
5202
-
6.91
160.0758
5-HYDROXY-L-TRYPTOPHAN
5-Hydroxy-tryptophan
ME166527
144
-
6.93
221.0918
PHENETHYLAMINE
Phenylethylamine
ME166631
1001
-
6.94
122.0965
PEG n5
Pentaethylene glycol
ME166630
62551
-
7.07
261.1311
Leu Pro
Leu-Pro
ME166579
-
-
7.36
229.1542
Isobutyrylcarnitine
CAR 3:0;2Me
ME166573
10177002
-
7.52
232.1544
Butyrylcarnitine
CAR 4:0
ME166540
213144
-
7.64
232.1544
L-Tryptophan 13C11
Tryptophan
ME166588
-
-
7.68
216.1333
Tryptophan
Tryptophan
ME166649
6305
-
7.68
205.0966
Tryptophan-2,3,3-D3
Tryptophan
ME166650
-
-
7.68
208.1161
Caffeine-D3
Caffeine
ME166541
13001298
-
7.90
198.1066
Isovalerylcarnitine
CAR 4:0;3Me
ME166576
169235
-
8.20
246.1696
3,4-Dimethylbenzoic acid
3,4-Dimethylbenzoic acid
ME166518
11897
-
8.55
151.0756
2',4'-DIHYDROXYACETOPHENONE
2',4'-Dihydroxyacetophenone
ME166514
6990
-
8.99
153.0543
Sulcatol
(R)-Sulcatol
ME166642
20745
-
8.99
129.1276
Triethyl phosphate
Triethyl phosphate
ME166648
6535
-
9.35
183.0783
TRANS-CINNAMATE
trans-Cinnamic acid
ME166647
444539
-
9.78
149.0599
BOC-L-Tyrosine
Tyrosine
ME166539
117439
-
-
182.0814
N-BOC-L-Aspartic Acid
Aspartic acid
ME166616
99718
-
-
256.0784
N-BOC-L-Tryptophan_R1
Tryptophan
ME166617
-
-
-
205.0966
N-BOC-L-Tryptophan_R2
Tryptophan
ME166618
-
-
-
327.1320
Analysis: UHPLC NEGATIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
2-AMINOETHYL DIHYDROGEN PHOSPHATE
Phosphoethanolamine
ME166655
1015
-
0.70
140.0116
GLUCOSE/FRUCTOSE_R1
Hexose
ME166685
-
C00293/C01496
0.70
215.0333
GLUCOSE/FRUCTOSE_R2
Hexose
ME166686
5793
-
0.70
217.0298
THREONINE/HOMOSERINE
Threonine/Homoserine
ME166740
-
-
0.70
118.0511
ASPARTATE
Aspartic acid
ME166668
83887
-
0.71
132.0300
L-GLUTAMINE
Glutamine
ME166699
5961
-
0.71
145.0615
SARCOSINE/BETA-ALANINE_R2
-
ME166734
-
-
0.71
88.0398
TAURINE
Taurine
ME166739
1123
-
0.71
124.0073
D-SACCHARIC ACID
Glucaric acid
ME166681
33037
-
0.72
209.0301
Sulfoacetaldehyde
Sulfoacetaldehyde
ME166737
160226
-
0.72
122.9756
DIHYDROXYACETONE PHOSPHATE
Dihydroxyacetone phosphate
ME166678
668
-
0.73
168.9905
GLYCEROL 2-PHOSPHATE/SN-GLYCEROL 3-PHOSPHATE
Phosphoglyceric acid
ME166690
-
-
0.73
171.0066
D-RIBOSE 5-PHOSPHATE/RIBULOSE 5-PHOSPHATE
Ribose
ME166680
-
-
0.74
229.0113
GLUCONIC ACID/D-GULONIC ACID GAMA-LACTONE
Gluconic acid/Gulonolactone
ME166684
-
-
0.74
195.0504
L-2-PHOSPHOGLYCERIC ACID
2-Phosphoglyceric acid
ME166696
439278
-
0.74
184.9858
L-GLUTAMIC ACID
Glutamic acid
ME166698
33032
-
0.75
146.0459
N-ACETYLNEURAMINATE
N-Acetylneuraminic acid
ME166720
439197
-
0.77
308.0984
GLYCOLATE
Glycolic acid
ME166691
757
-
0.79
75.0080
TARTARIC ACID
Tartaric acid
ME166738
444305
-
0.79
149.0088
3-SULFINO-L-ALANINE
3-Sulfino-alanine
ME166658
1549098
-
0.80
152.0023
GLYCERIC ACID
Glyceric acid
ME166689
439194
-
0.83
105.0191
LL-2,6-DIAMINOHEPTANEDIOATE
2,6-Diaminopimelic acid
ME166702
439283
-
0.83
189.0881
CREATINE
Creatine
ME166676
586
-
0.88
130.0623
N-AMIDINO-L-ASPARTATE
Guanidinosuccinic acid
ME166721
439918
-
0.88
174.0520
N-METHYL-L-GLUTAMATE
N-Methyl-glutamic acid
ME166729
439377
-
0.88
160.0616
SARCOSINE/BETA-ALANINE_R1
-
ME166733
-
-
0.88
88.0399
ALDOPENTOSE
Aldopentose
ME166664
-
-
0.89
149.0452
CMP
CMP
ME166675
6131
-
1.01
322.0446
MALATE
Malic acid
ME166714
92824
-
1.05
133.0140
N-BOC-L-tert-Leucine_R1
-
ME166724
-
-
10.89
156.0663
N-BOC-L-tert-Leucine_R2
-
ME166725
-
-
10.89
230.1394
Ascorbic acid
Vitamin C
ME166667
54670067
-
1.09
175.0243
ISOCITRIC ACID
Isocitric acid
ME166695
1198
-
1.09
191.0196
GLYCERALDEHYDE/LACTATE
-
ME166688
-
-
1.21
89.0239
LysoPE (18:1)_R2
LPE 18:1
ME166711
53480925
-
12.52
478.2930
LysoPE (20:4)
LPE 20:4
ME166712
-
-
12.87
500.2793
LysoPE (22:6)
LPE 22:6
ME166713
-
-
12.88
524.2774
LysoPE (16:0)
LPE 16:0
ME166708
-
-
13.27
452.2798
4-Dodecylbenzenesulfonate
4-Dodecylbenzenesulfonic acid
ME166660
4378467
-
13.37
325.1839
LysoPE (18:1)_R1
LPE 18:1
ME166710
-
-
13.48
478.2929
URACIL
Uracil
ME166743
1174
-
1.35
111.0197
Mono-(2-Ethylhexyl) Phthalate Dimer
Monoethylhexyl phthalic acid
ME166715
20393
-
13.56
540.3329
LysoPC (18:1)
LPC 18:1
ME166707
-
-
13.59
566.3487
Plasmenyl-LysoPE (P-18:1)
LPE P-18:1
ME166730
-
-
13.86
462.3007
N-ACETYL-L-ASPARTIC ACID
N-Acetylaspartic acid
ME166719
65065
-
1.41
174.0406
LysoPE (18:0)
LPE 18:0
ME166709
-
-
14.49
480.3084
ADENINE
Adenine
ME166663
190
-
1.49
134.0472
GLUTATHIONE
Glutathione
ME166687
124886
-
1.56
306.0772
Docosahexaenoic Acid (22:6)
DHA
ME166679
445580
-
15.73
327.2325
Arachidonic Acid (20:4)
Arachidonic acid
ME166666
444899
-
15.99
303.2328
NICOTINAMIDE
Niacinamide
ME166728
936
-
1.60
121.0405
CYTIDINE
Cytidine
ME166677
6175
-
1.61
242.0786
Linoleic Acid (18:2)
Linoleic acid
ME166700
5280450
-
16.25
279.2335
4-GUANIDINOBUTANOATE
4-Guanidinobutanoic acid
ME166661
500
-
1.63
144.0778
4-oxoproline
4-Oxo-proline
ME166662
107541
-
1.77
128.0352
URATE
Uric acid
ME166744
1175
-
1.78
167.0212
CITRATE
Citric acid
ME166673
311
-
1.85
191.0198
CITRIC ACID-13C6
Citric acid
ME166674
16217547
-
1.85
197.0395
PYRIDOXAL
Pyridoxal
ME166731
1050
-
1.93
166.0509
HYPOXANTHINE
Hypoxanthine
ME166694
790
-
1.98
135.0314
Fumaric Acid
Fumaric acid
ME166683
444972
C00122
2.01
115.0038
N-ACETYL-DL-GLUTAMIC ACID
N-Acetylglutamic acid
ME166717
185
-
2.16
188.0565
N-ACETYL-L-ALANINE
N-Acetylalanine
ME166718
88064
-
2.19
130.0511
CITRAMALATE
Citramalic acid
ME166672
1081
-
2.20
147.0299
SUCCINATE
Succinic acid
ME166735
1110
-
2.26
117.0191
SUCCINIC ACID-13C4
Succinic acid
ME166736
16213533
-
2.26
121.0329
L-ISOLEUCINE
Isoleucine
ME166701
6306
-
2.28
130.0872
ALPHA-HYDROXYISOBUTYRIC ACID
2-Hydroxyisobutyric acid
ME166665
11671
-
2.30
103.0397
XANTHINE
Xanthine
ME166746
1188
-
2.43
151.0260
LEUCINE
Leucine
ME166697
857
-
2.58
130.0872
URIDINE
Uridine
ME166745
6029
-
2.77
243.0620
N-Acetylaspartylglutamic acid
N-Acetyl-Asp-Glu
ME166716
5255
-
2.92
303.0826
3-HYDROXY-3-METHYLGLUTARATE
3-Hydroxymethylglutaric acid
ME166656
1662
-
2.95
161.0457
L-TYROSINE
Tyrosine
ME166705
6057
-
3.44
180.0666
L-Tyrosine-13C6
Tyrosine
ME166706
12144755
-
3.44
186.0865
ETHYLMALONIC ACID
Ethylmalonic acid
ME166682
11756
-
6.09
131.0350
Guanosine
Guanosine
ME166692
6802
-
6.24
282.0843
L-Phenylalanine-13C6
Phenylalanine
ME166703
71309396
-
6.32
170.0919
HOMOVANILLATE
Homovanillic acid
ME166693
1738
-
7.48
181.0504
L-Tryptophan-13C11
Tryptophan
ME166704
-
-
7.67
214.1196
Tryptophan
Tryptophan
ME166741
6305
-
7.67
203.0829
Tryptophan-2,3,3-D3
Tryptophan
ME166742
-
-
7.67
206.1011
3-methyladipic acid
3-Methyladipic acid
ME166657
12292
-
7.86
159.0666
Xylenesulfonate
-
ME166747
11868
-
7.98
185.0276
AZELAIC ACID
Azelaic acid
ME166669
2266
-
8.41
187.0978
3-tert-Butyladipic acid
Sebacic acid
ME166659
5192
-
9.87
201.1128
Salicylic Acid-D4
Salicylic acid
ME166732
46782907
-
9.97
141.0497
BOC-L-Tyrosine_R1
Tyrosine
ME166670
-
-
-
206.0458
BOC-L-Tyrosine_R2
Tyrosine
ME166671
-
-
-
280.1186
N-BOC-L-Aspartic Acid_R1
Aspartic acid
ME166722
-
-
-
232.0822
N-BOC-L-Aspartic Acid_R2
Aspartic acid
ME166723
-
-
-
158.0092
N-BOC-L-Tryptophan_R1
Tryptophan
ME166726
-
-
-
229.0620
N-BOC-L-Tryptophan_R2
Tryptophan
ME166727
-
-
-
303.1352
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