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Return to study ST000292 main page
Analysis: ESI Positive mode
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
2-Aceto-2-hydroxybutanoate
2-Acetolactate
ME106739
21
C00659
0.86
147.0653
Dihydro-4,4-dimethyl-2,3-furandione
2-Dehydropantolactone
ME107099
39
C01125
0.89
129.0549
3-Methyl-2-oxobutanoic acid_1
Ketoisovaleric acid
ME106802
49
C00141
0.79
117.055
3-Methyl-2-oxobutanoic acid_2
Ketoisovaleric acid
ME106803
49
C00141
2.04
117.0551
2-Oxobutanoate_1
3-Methyl pyruvic acid
ME106766
58
C00109
0.8
103.0395
2-Oxobutanoate_2
3-Methyl pyruvic acid
ME106767
58
C00109
2.15
103.0395
4-Methyl-2-oxopentanoate
Ketoleucine
ME106854
70
C00233
3.4
131.0705
3-UREIDOPROPIONATE
Ureidopropionic acid
ME106819
111
C02642
1.33
133.061
4-Aminobutyraldehyde_1
4-Aminobutyraldehyde
ME106832
118
C00555
1.58
88.0764
4-Aminobutyraldehyde_2
4-Aminobutyraldehyde
ME106833
118
C00555
0.96
88.0764
4-AMINOBUTANOATE
gamma-Aminobutyric acid
ME106831
119
C00334
0.87
104.0712
4-Hydroxyphenylacetate
4-Hydroxyphenyl acetate
ME106850
127
C00642
9.12
153.0547
4-Imidazolone-5-propanoate
4-Imidazolone-5-propionic acid
ME106852
128
C03680
1.05
157.061
4-Carboxy-4-hydroxy-2-oxoadipate
-
ME106834
130
C04115
3.43
221.0283
5-Aminolevulinate_1
5-Amino-levulinic acid
ME106879
137
C00430
1.98
132.0658
5-Aminolevulinate_2
5-Amino-levulinic acid
ME106880
137
C00430
1.18
132.0657
5-Aminolevulinate_3
5-Amino-levulinic acid
ME106881
137
C00430
2.47
132.066
5-Aminolevulinate_4
5-Amino-levulinic acid
ME106882
137
C00430
4.65
132.0658
5-AMINOLEVULINIC ACID
5-Amino-levulinic acid
ME106883
137
C00430
0.79
132.0657
5-AMINOPENTANOATE
5-Aminopentanoic acid
ME106884
138
C00431
1.2
118.0867
5-Ureido-4-imidazole carboxylate
-
ME106901
155
C05515
8.07
171.0499
8-Amino-7-oxononanoate_1
8-Amino-7-oxononanoic acid
ME106913
173
C01092
3.38
188.1282
8-Amino-7-oxononanoate_2
8-Amino-7-oxononanoic acid
ME106914
173
C01092
7.38
188.1282
8-Amino-7-oxononanoate_3
8-Amino-7-oxononanoic acid
ME106915
173
C01092
8.39
188.1282
Adenine
Adenine
ME106930
190
C00147
5.91
136.062
ADENINE
Adenine
ME106929
190
C00147
1.61
136.062
ALLANTOIN
Allantoin
ME106933
204
C01551
0.87
159.0514
Anthranilate
2-Aminobenzoic acid
ME106952
227
C00108
8.78
138.0551
BETA-ALANINE
beta-Alanine
ME106978
239
C00099
0.78
90.0556
Aromatic aldehyde_1
Benzaldehyde
ME106961
240
C00193
8.89
107.0496
Aromatic aldehyde_2
Benzaldehyde
ME106962
240
C00193
6.42
107.0496
Aromatic aldehyde_3
Benzaldehyde
ME106963
240
C00193
3.62
107.0496
Aromatic aldehyde_4
Benzaldehyde
ME106964
240
C00193
6.95
107.0496
Aromatic aldehyde_5
Benzaldehyde
ME106965
240
C00193
7.94
107.0496
Benzoate
Benzoic acid
ME106971
243
C00180
3.62
123.0444
Benzyl alcohol
Benzyl alcohol
ME106974
244
C00556
10.91
109.0653
BETAINE
Betaine
ME106983
247
C00719
0.87
118.0866
L-CARNITINE
Carnitine
ME107252
288
-
1.02
162.1125
Catechol_1
Pyrocatechol
ME107012
289
C00090
0.89
111.0446
Catechol_2
Pyrocatechol
ME107013
289
C00090
1.33
111.0445
CITRATE
Citric acid
ME107030
311
C00158
2.05
215.0163
Octanoic acid
Caprylic acid
ME107418
379
C06423
11.72
145.1224
D-SORBITOL
Sorbitol
ME107122
453
C00794
0.78
205.0681
1-Octanal_1
Caprylaldehyde
ME106718
454
C01545
12.48
129.1276
1-Octanal_2
Caprylaldehyde
ME106719
454
C01545
9.11
129.1276
Hippurate
Hippuric acid
ME107192
464
C01586
8.06
180.0656
ALPHA-AMINOADIPATE
Aminoadipic acid
ME106936
469
C00956
0.98
162.0762
N1-Acetylspermidine
N1-Acetylspermidine
ME107338
496
C00612
0.96
188.1758
4-Guanidinobutanoate
4-Guanidinobutanoic acid
ME106841
500
C01035
8.22
146.0934
4-GUANIDINOBUTANOATE
4-Guanidinobutanoic acid
ME106842
500
C01035
1.75
146.0925
1-AMINOCYCLOPROPANE-1-CARBOXYLATE
1-Aminocyclopropanecarboxylic acid
ME106713
535
C01234
0.79
102.0555
1-Aminocyclopropane-1-carboxylate_1
1-Aminocyclopropanecarboxylic acid
ME106712
535
C01234
1.44
102.0555
1-Aminocyclopropane-1-carboxylate_2
1-Aminocyclopropanecarboxylic acid
ME106714
535
C01234
2.11
102.0555
Creatine
Creatine
ME107042
586
C00300
7.75
132.0779
CREATINE
Creatine
ME107041
586
C00300
0.97
132.0769
CREATININE
Creatinine
ME107043
588
C00791
1
114.0667
Cytosine_1
Cytosine
ME107065
597
C00380
5.75
112.051
Cytosine_2
Cytosine
ME107066
597
C00380
1.76
112.051
5,6-Dihydrouracil
Dihydrouracil
ME106871
649
C00429
2.24
115.0506
5,6-DIHYDROURACIL
Dihydrouracil
ME106870
649
C00429
1.44
115.0507
Diacetyl_1
Diacetyl
ME107087
650
C00741
2.24
87.0447
Diacetyl_2
Diacetyl
ME107088
650
C00741
0.79
87.0447
Diacetyl_3
Diacetyl
ME107089
650
C00741
1.88
87.0448
Diethylthiophosphoric acid
Diethylthiophosphate
ME107097
655
C06607
1.3
171.0245
Glycerone_1
Dihydroxyacetone
ME107170
670
C00184
1.3
91.0396
Glycerone_2
Dihydroxyacetone
ME107171
670
C00184
0.8
91.0396
DEOXYCARNITINE
3-Dehydroxycarnitine
ME107080
725
C05543
1.45
146.1177
Glutarate_1
Glutaric acid
ME107164
743
C00489
0.8
133.0497
Glutarate_2
Glutaric acid
ME107165
743
C00489
1.28
133.0497
Glutarate_3
Glutaric acid
ME107166
743
C00489
3.01
133.0497
Glycine
Glycine
ME107174
750
C00037
1.29
76.0401
GLYCINE
Glycine
ME107173
750
C00037
0.76
76.0401
Glycerol
Glycerol
ME107169
753
C00116
0.84
93.0553
GLYCEROL
Glycerol
ME107168
753
C00116
0.84
115.0372
GUANIDINOACETATE
Guanidoacetic acid
ME107185
763
C00581
0.84
118.0617
GUANINE
Guanine
ME107186
764
C00242
1.63
152.0569
Histamine
Histamine
ME107193
774
C00388
1.73
112.0874
HISTAMINE
Histamine
ME107194
774
C00388
0.76
112.0872
Homogentisate
Homogentisic acid
ME107195
780
C00544
10.38
169.0497
Hypoxanthine
Hypoxanthine
ME107204
790
C00262
6.25
137.046
HYPOXANTHINE
Hypoxanthine
ME107203
790
C00262
2.15
137.0459
3-(Imidazol-4-yl)-2-oxopropyl phosphate_1
Imidazole acetol-phosphate
ME106777
792
C01267
4.31
221.0332
3-(Imidazol-4-yl)-2-oxopropyl phosphate_2
Imidazole acetol-phosphate
ME106778
792
C01267
6.2
221.0332
Indole_1
Indole
ME107208
798
C00463
7.75
118.0656
Indole_2
Indole
ME107209
798
C00463
10.49
118.0655
Indole_3
Indole
ME107210
798
C00463
8.06
118.0655
Indole_4
Indole
ME107211
798
C00463
6.43
118.0656
Indole-3-acetaldehyde_1
Indoleacetaldehyde
ME107212
800
C00637
7.76
160.0758
Indole-3-acetaldehyde_2
Indoleacetaldehyde
ME107213
800
C00637
10.66
160.0758
Indole-3-acetaldehyde_3
Indoleacetaldehyde
ME107214
800
C00637
8.96
160.0758
Indole-3-acetate_1
Indoleacetic acid
ME107215
802
C00954
10
176.0707
Indole-3-acetate_2
Indoleacetic acid
ME107216
802
C00954
8.38
176.0707
2-(Methylthio)ethanesulfonate
Methyl-CoM
ME106726
893
C03920
1.11
156.9976
Nicotinamide
Niacinamide
ME107389
936
C00153
2.95
123.0556
NICOTINAMIDE
Niacinamide
ME107388
936
C00153
1.73
123.0556
NICOTINATE
Nicotinic acid
ME107390
938
C00253
1.41
124.0396
Pantothenate_1
Pantothenic acid
ME107432
988
C00864
8.22
220.116
Pantothenate_2
Pantothenic acid
ME107433
988
C00864
7.75
220.116
Phenylpyruvate
Phenylpyruvic acid
ME107454
997
C00166
3.62
165.0547
N-Trimethyl-2-aminoethylphosphonate_1
-
ME107413
1014
C06459
8.34
169.086
N-Trimethyl-2-aminoethylphosphonate_2
-
ME107414
1014
C06459
8.94
169.086
Phthalate
Phthalic acid
ME107457
1017
C01606
13.66
167.034
Porphobilinogen
Porphobilinogen
ME107468
1021
C00931
6.88
227.1026
Propanoate
Propionic acid
ME107473
1032
C00163
0.84
75.0448
Pyridoxal
Pyridoxal
ME107480
1050
C00250
10.46
168.0656
Pyridoxamine_1
Pyridoxamine
ME107481
1052
C00534
6.07
169.0972
Pyridoxamine_2
Pyridoxamine
ME107482
1052
C00534
6.49
169.0972
PYRIDOXINE
Pyridoxine
ME107483
1054
C00314
3.08
170.0813
1,2,3-Trihydroxybenzene
1,2,3-Trihydroxybenzene
ME106696
1057
C01108
0.79
127.0393
SARCOSINE
Sarcosine
ME107497
1088
C00213
0.75
112.0373
Succinate_1
Succinic acid
ME107516
1110
C00042
0.84
119.0342
Succinate_2
Succinic acid
ME107517
1110
C00042
1.28
119.0341
TAURINE
Taurine
ME107529
1123
C00245
0.77
126.0222
Thymine
Thymine
ME107539
1135
C00178
6.22
127.0504
THYMINE
Thymine
ME107540
1135
C00178
3.49
127.0505
5-(2-Hydroxyethyl)-4-methylthiazole_1
5-(2-Hydroxyethyl)-4-methylthiazole
ME106865
1136
C04294
5.9
144.048
5-(2-Hydroxyethyl)-4-methylthiazole_2
5-(2-Hydroxyethyl)-4-methylthiazole
ME106866
1136
C04294
6.23
144.0479
Toluene-cis-dihydrodiol_1
(1S,2R)-3-Methylcyclohexa-3,5-diene-1,2-diol
ME107542
1141
C04592
7.57
127.0756
Toluene-cis-dihydrodiol_2
(1S,2R)-3-Methylcyclohexa-3,5-diene-1,2-diol
ME107543
1141
C04592
4.16
127.0756
Toluene-cis-dihydrodiol_3
(1S,2R)-3-Methylcyclohexa-3,5-diene-1,2-diol
ME107544
1141
C04592
6.98
127.0756
Trimethylamine N-oxide
Trimethylamine N-oxide
ME107554
1145
C01104
0.99
76.0765
Uracil
Uracil
ME107563
1174
C00106
3.01
113.0351
URACIL
Uracil
ME107564
1174
C00106
1.51
113.035
URATE
Uric acid
ME107565
1175
C00366
1.96
169.0356
Xanthine
Xanthine
ME107575
1188
C00385
2.64
153.0409
AMPA_1
Ampa
ME106946
1221
C13672
1.24
187.0714
AMPA_2
Ampa
ME106947
1221
C13672
1.72
187.0714
3,4-Methylenedioxymethamphetamine
3,4-Methylenedioxymethamphetamine
ME106786
1615
C07577
6.81
194.1176
3-Aminopropanesulfonate
Cerebril
ME106790
1646
C03349
7.05
140.0365
3-METHYLADENINE
3-Methyladenine
ME106804
1673
C00913
2.19
150.0775
5-Hydroxyindoleacetate
5-Hydroxyindoleacetic acid
ME106888
1826
C05635
6.64
192.0656
Apraclonidine
Apraclonidine
ME106957
2216
C07668
3.81
245.0342
Aristolochic acid
Aristolochic acid
ME106960
2236
C08469
3.01
171.5342
Azelaic acid
Azelaic acid
ME106967
2266
C08261
9.34
189.1123
(+)-Camphor_1
Camphor
ME106659
2537
C00808
7.52
153.1275
(+)-Camphor_2
Camphor
ME106660
2537
C00808
8.41
153.1275
(+)-Camphor_3
Camphor
ME106661
2537
C00808
12.04
153.1275
Carbamazepine
Carbamazepine
ME107006
2554
C06868
10.63
237.1024
CCCP
CCCP
ME107014
2603
C11164
1.3
205.0289
Debrisoquin
Debrisoquine
ME107072
2966
C13650
8.66
176.1183
Diphenhydramine
Diphenhydramine
ME107112
3100
C06960
11.18
256.1696
Emedastine
Emedastine
ME107127
3219
C07785
11.81
303.2167
Ethosuximide_1
Ethosuximide
ME107131
3291
C07505
2.27
142.0865
Ethosuximide_2
Ethosuximide
ME107132
3291
C07505
8.22
142.0864
Ethosuximide_3
Ethosuximide
ME107133
3291
C07505
1.36
142.0863
Ethosuximide_4
Ethosuximide
ME107134
3291
C07505
6.06
142.0864
Ethosuximide_5
Ethosuximide
ME107135
3291
C07505
7.23
142.0864
Etidronic acid
Etidronic acid
ME107138
3305
C07736
2.24
206.9798
Etodolac
Etodolac
ME107139
3308
C06991
13.62
288.1603
Fenoldopam
Fenoldopam
ME107147
3341
C07693
1.93
153.5468
Fexofenadine_1
Fexofenadine
ME107150
3348
C06999
12.96
502.2934
Fexofenadine_2
Fexofenadine
ME107151
3348
C06999
12.56
502.2935
Fexofenadine_3
Fexofenadine
ME107152
3348
C06999
11.86
502.2935
Fexofenadine_4
Fexofenadine
ME107153
3348
C06999
11.53
502.2934
Guanfacine
Guanfacine
ME107184
3519
C07037
3.84
246.0192
4-Hydroxy-2-quinolinecarboxylic acid
Kynurenic acid
ME106846
3845
C01717
7.84
190.0499
1-O-Hexadecyl-lyso-sn-glycero-3-phosphocholine
-
ME106720
3983
C13903
13.84
482.3611
Metformin
Metformin
ME107310
4091
C07151
1.14
130.109
N-Ethylmaleimide
N-Ethylmaleimide
ME107380
4362
C02441
1.21
126.0551
Nalidixic acid_1
Nalidixic acid
ME107367
4421
C05079
6.89
233.0922
Nalidixic acid_2
Nalidixic acid
ME107368
4421
C05079
9.27
233.0922
Nalidixic acid_3
Nalidixic acid
ME107369
4421
C05079
4.14
233.0921
Nalidixic acid_4
Nalidixic acid
ME107370
4421
C05079
2.67
233.0921
Nalidixic acid_5
Nalidixic acid
ME107371
4421
C05079
3.3
233.0921
p-Benzoquinone_1
Quinone
ME107438
4650
C00472
0.79
109.0289
p-Benzoquinone_2
Quinone
ME107439
4650
C00472
2.11
109.0289
Phenacetin
Phenacetin
ME107447
4754
C07591
6.52
180.102
Phenmetrazine
Phenmetrazine
ME107450
4762
C07432
7.41
178.1228
Pirbuterol
Pirbuterol
ME107466
4845
C07807
6.47
241.1545
Pyridostigmine
Pyridostigmine
ME107479
4991
C07410
2.15
182.1038
Sebacic acid_1
Sebacic acid
ME107498
5192
C08277
0.78
203.1292
Sebacic acid_2
Sebacic acid
ME107499
5192
C08277
9.97
203.1279
Sebacic acid_3
Sebacic acid
ME107500
5192
C08277
10.77
203.128
Serotonin
Serotonin
ME107501
5202
C00780
1.98
177.1022
Sulfamethazine
Sulfamethazine
ME107525
5327
C19530
11.54
279.0935
Tyramine_1
Tyramine
ME107561
5610
C00483
7.11
138.0915
Tyramine_2
Tyramine
ME107562
5610
C00483
7.95
138.0914
Corticosterone
Corticosterone
ME107036
5753
C02140
11.09
347.2214
Cortisol
Cortisol
ME107037
5754
C00735
9.99
363.2165
6-Methylmercaptopurine
6-Methylthiopurine
ME106911
5778
C16614
1.42
167.0373
D-Ribose
Ribose
ME107121
5779
C00121
1.29
151.0603
D-Glucose_1
Glucose
ME107085
5793
C00031
7.47
181.0721
D-Glucose_2
Glucose
ME107086
5793
C00031
7.09
181.0721
2-Aminophenol_1
2-Aminophenol
ME106745
5801
C01987
2.1
110.0605
2-Aminophenol_2
2-Aminophenol
ME106746
5801
C01987
1.67
110.0605
L-Alanine
Alanine
ME107241
5950
C00041
1.81
90.0557
L-SERINE
Serine
ME107291
5951
C00065
0.78
106.0504
L-Aspartate
Aspartic acid
ME107248
5960
C00049
0.97
134.045
L-GLUTAMINE
Glutamine
ME107261
5961
C00064
0.77
147.0765
SUCROSE
Sucrose
ME107521
5988
C00089
0.9
365.1054
Inosine
Inosine
ME107222
6021
C00294
6.25
269.088
Uridine_1
Uridine
ME107567
6029
C00299
3.01
245.0768
Uridine_2
Uridine
ME107568
6029
C00299
1.58
245.0768
3,4-Dihydroxy-L-phenylalanine_1
DOPA
ME106781
6047
C00355
6.34
198.0762
3,4-Dihydroxy-L-phenylalanine_2
DOPA
ME106782
6047
C00355
2.49
198.0762
EDTA
Edetic acid
ME107126
6049
C00284
0.92
293.0979
L-Tyrosine_1
Tyrosine
ME107295
6057
C00082
3.62
182.0813
L-Tyrosine_2
Tyrosine
ME107296
6057
C00082
7.2
182.0813
L-Tyrosine_3
Tyrosine
ME107297
6057
C00082
7.64
182.0813
LEUCINE
Leucine
ME107255
6106
C00123
2.71
132.1021
L-Leucine_1
Leucine
ME107274
6106
C00123
1
132.102
L-Leucine_2
Leucine
ME107275
6106
C00123
1.82
132.1022
L-Methionine
Methionine
ME107277
6137
C00073
1.88
150.0585
L-Phenylalanine
Phenylalanine
ME107283
6140
C00079
6.42
166.0864
Diethyl sulfate
-
ME107094
6163
C14706
1.24
155.0372
CYTIDINE
Cytidine
ME107064
6175
C00475
1.76
244.0928
Ampicillin
Ampicillin
ME106948
6249
C06574
8.01
350.1165
Mannitol_1
Mannitol
ME107304
6251
C00392
7.2
183.0846
Mannitol_2
Mannitol
ME107305
6251
C00392
0.79
183.0866
L-Asparagine
Asparagine
ME107247
6267
C00152
2.6
133.061
L-ASPARAGINE
Asparagine
ME107246
6267
C00152
0.75
133.061
L-Histidine
Histidine
ME107263
6274
C00135
1.28
156.0769
L-HISTIDINE
Histidine
ME107262
6274
C00135
0.76
156.0769
L-THREONINE
Threonine
ME107292
6288
C00188
0.78
120.0658
L-Tryptophan_1
Tryptophan
ME107293
6305
C00078
7.75
205.0974
L-Tryptophan_2
Tryptophan
ME107294
6305
C00078
9.27
205.0974
L-ISOLEUCINE
Isoleucine
ME107272
6306
C00407
2.35
132.1022
L-ARGININE
Arginine
ME107245
6322
C00062
0.76
175.1191
Acetone cyanohydrin_1
2-Hydroxy-2-methylpropanenitrile
ME106924
6406
C02659
1.42
86.0607
Acetone cyanohydrin_2
2-Hydroxy-2-methylpropanenitrile
ME106925
6406
C02659
2.54
86.0607
Acetone cyanohydrin_3
2-Hydroxy-2-methylpropanenitrile
ME106926
6406
C02659
1.96
86.0607
Pentachloroethane
-
ME107445
6419
C19496
0.75
200.8592
Piperidione_1
Piperidione
ME107462
6465
C17730
8.34
170.1176
Piperidione_2
Piperidione
ME107463
6465
C17730
7.13
170.1176
Piperidione_3
Piperidione
ME107464
6465
C17730
7.79
170.1177
Piperidione_4
Piperidione
ME107465
6465
C17730
10.08
170.1177
QUINATE_1
Quinic acid
ME107484
6508
C00296
0.89
215.0526
QUINATE_2
Quinic acid
ME107485
6508
C00296
0.85
193.0708
Tris(butoxyethyl)phosphate
-
ME107555
6540
C14446
13.71
399.251
Isobutyronitrile_1
Isobutyronitrile
ME107223
6559
C02420
0.92
70.066
Isobutyronitrile_2
Isobutyronitrile
ME107224
6559
C02420
1.74
70.066
Isobutyronitrile_3
Isobutyronitrile
ME107225
6559
C02420
2.48
70.066
Dimethylcarbamoyl chloride
-
ME107109
6598
C19175
1.82
108.0211
3,3'-Dimethylbisphenol A
-
ME106780
6620
C14339
12.5
257.1537
4-Pyridoxate
4-Pyridoxic acid
ME106861
6723
C00847
6.02
184.0606
Fluorene
Fluorene
ME107155
6853
C07715
12
167.0857
XYLITOL
Xylitol
ME107576
6912
C00379
0.8
175.0577
D-GLUCONO-1,5-LACTONE
Gluconolactone
ME107083
7027
C00198
0.81
219.0475
2-Naphthylamine_1
2-Aminonaphthalene
ME106764
7057
C02227
8.22
144.0809
2-Naphthylamine_2
2-Aminonaphthalene
ME106765
7057
C02227
7.75
144.0809
4-Aminobiphenyl
4-Aminobiphenyl
ME106830
7102
C10998
13.82
170.0965
Xanthan
-
ME107574
7107
C01464
13.32
183.0806
Methyleugenol_1
Methyleugenol
ME107317
7127
C10454
12.74
179.1067
Methyleugenol_2
Methyleugenol
ME107318
7127
C10454
13.23
179.1068
Methyleugenol_3
Methyleugenol
ME107319
7127
C10454
10.6
179.1067
Methyleugenol_4
Methyleugenol
ME107320
7127
C10454
9.73
179.1067
Benzyl nicotinate
Benzyl nicotinate
ME106975
7191
C12865
11.52
214.0855
1,3-Dichloro-2-propanol
-
ME106700
7289
C14399
1.31
128.9861
Furfuryl alcohol
2-Furanmethanol
ME107161
7361
C20441
0.84
99.0447
5-OXO-L-PROLINE
Pyroglutamic acid
ME106900
7405
C01879
1.96
130.0502
Cumene
Isopropylbenzene
ME107051
7406
C14396
12.15
121.1016
4-Vinylcyclohexene_1
-
ME106862
7499
C19310
8.59
109.1018
4-Vinylcyclohexene_2
-
ME106863
7499
C19310
9.97
109.1018
4-Vinylcyclohexene_3
-
ME106864
7499
C19310
9.42
109.1018
Styrene
Styrene
ME107511
7501
C07083
8.7
105.0704
Phenylhydrazine
Phenylhydrazine
ME107453
7516
C02304
2.12
109.0765
N-Nitrosopiperidine_1
-
ME107408
7526
C19284
6.66
115.087
N-Nitrosopiperidine_2
-
ME107409
7526
C19284
0.89
115.0872
2-Phenylacetamide_1
2-Phenylacetamide
ME106770
7680
C02505
3.62
136.0759
2-Phenylacetamide_2
2-Phenylacetamide
ME106771
7680
C02505
8.88
136.0758
epsilon-Caprolactam_1
Epsilon-caprolactam
ME107128
7768
C06593
7.18
114.0917
epsilon-Caprolactam_2
Epsilon-caprolactam
ME107129
7768
C06593
8.22
114.0917
p-Xylene
p-Xylene
ME107478
7809
C06756
8.76
107.0861
1,2,6-Hexanetriol
-
ME106697
7823
C20334
6.95
135.1018
Succinic anhydride
Succinic anhydride
ME107518
7922
C19524
0.79
101.0238
Cyclohexylamine_1
Cyclohexylamine
ME107061
7965
C00571
6.89
100.1126
Cyclohexylamine_2
Cyclohexylamine
ME107062
7965
C00571
6.53
100.1126
Cyclohexanone
Cyclohexanone
ME107060
7967
C00414
6.78
99.081
Piperidine_1
Piperidine
ME107460
8082
C01746
2.71
86.0971
Piperidine_2
Piperidine
ME107461
8082
C01746
2.35
86.0971
Hexylamine
Hexylamine
ME107191
8102
C08306
6.7
102.1281
Diethanolamine
Diethanolamine
ME107090
8113
C06772
0.96
106.0869
Bis(2-chloroethyl)ether_1
-
ME106986
8115
C14688
2.33
143.0017
Bis(2-chloroethyl)ether_2
-
ME106987
8115
C14688
1.63
143.0016
Diethylene glycol_1
Diethylene glycol
ME107095
8117
C14689
8.91
107.0707
Diethylene glycol_2
Diethylene glycol
ME107096
8117
C14689
13.74
107.0708
Octylamine
Octylamine
ME107419
8143
C01740
8.44
130.1592
Paramethadione_1
Paramethadione
ME107434
8280
C07411
7.37
158.0813
Paramethadione_2
Paramethadione
ME107435
8280
C07411
3.92
158.0814
Paramethadione_3
Paramethadione
ME107436
8280
C07411
6.56
158.0814
Paramethadione_4
Paramethadione
ME107437
8280
C07411
1.5
158.0814
Isoquinoline_1
Isoquinoline
ME107226
8405
C06323
7.75
130.0653
Isoquinoline_2
Isoquinoline
ME107227
8405
C06323
10.69
130.0653
Isoquinoline_3
Isoquinoline
ME107228
8405
C06323
10
130.0654
Isoquinoline_4
Isoquinoline
ME107229
8405
C06323
7.31
130.0654
Isoquinoline_5
Isoquinoline
ME107230
8405
C06323
8.87
130.0654
Isoquinoline_6
Isoquinoline
ME107231
8405
C06323
9.32
130.0653
Isoquinoline_7
Isoquinoline
ME107232
8405
C06323
8.24
130.0653
IMP
IMP
ME107206
8582
C00130
1.11
175.0316
Shikimate
Shikimic acid
ME107502
8742
C00493
4.3
175.0604
2-Hydroxypyridine
2-Hydroxypyridine
ME106763
8871
C02502
2.02
96.045
Acridine
Acridine
ME106928
9215
C20141
8.79
180.0808
Benzofuran_1
Benzofuran
ME106972
9223
C14512
3.62
119.0495
Benzofuran_2
Benzofuran
ME106973
9223
C14512
6.78
119.0496
Succimer
-
ME107515
9354
C07598
2.14
182.9771
CITRULLINE
Citrulline
ME107031
9750
C00327
0.84
176.103
Betamethasone
Betamethasone
ME106984
9782
C06848
7.79
393.2094
Sulcatone_1
Sulcatone
ME107522
9862
C07287
8.59
127.112
Sulcatone_2
Sulcatone
ME107523
9862
C07287
9.13
127.112
Methylguanidine
Methylguanidine
ME107321
10111
C02294
0.92
74.0721
Glycyrrhetinate
Glycyrrhetinic acid
ME107183
10114
C02283
13.81
471.3483
Glycocholate
Glycocholic acid
ME107175
10140
C01921
10.55
466.3167
Retronecine
Retronecine
ME107487
10198
C06177
7.92
156.102
Nicotyrine
Nicotyrine
ME107391
10249
C10161
7.75
159.0918
Methaphenilene
Methaphenilene
ME107311
10306
C11113
7.45
261.1445
Chrysoidine free base
-
ME107017
10317
C14617
9.37
213.1121
4-Hydroxybutanoic acid_1
4-Hydroxybutyric acid
ME106847
10413
C00989
2.26
105.0552
4-Hydroxybutanoic acid_2
4-Hydroxybutyric acid
ME106848
10413
C00989
0.8
105.0551
Cyclohexane-1,3-dione_1
Cyclohexane-1,3-dione
ME107057
10434
C01066
3.4
113.0602
Cyclohexane-1,3-dione_2
Cyclohexane-1,3-dione
ME107058
10434
C01066
11.94
113.0601
Cyclohexane-1,3-dione_3
Cyclohexane-1,3-dione
ME107059
10434
C01066
7.22
113.0601
Orcinol
Orcinol
ME107426
10436
C00727
7.84
125.06
Suberic acid_1
Suberic acid
ME107512
10457
C08278
8.68
175.0965
Suberic acid_2
Suberic acid
ME107513
10457
C08278
6.86
175.0965
Suberic acid_3
Suberic acid
ME107514
10457
C08278
9.3
175.0966
Abietate
Abietic acid
ME106921
10569
C06087
15.45
303.2319
Apiole_1
Apiole
ME106953
10659
C10429
11.13
223.0966
Apiole_2
Apiole
ME106954
10659
C10429
12.54
223.0966
Mandelonitrile_1
2-Hydroxy-2-phenylacetonitrile
ME107302
10758
C00561
8.87
134.0602
Mandelonitrile_2
2-Hydroxy-2-phenylacetonitrile
ME107303
10758
C00561
8.29
134.0602
Stovaine_1
Amylocaine
ME107509
10767
C14169
8.27
236.1645
Stovaine_2
Amylocaine
ME107510
10767
C14169
9.36
236.1644
2-Hydroxycyclohexan-1-one_1
2-Hydroxycyclohexan-1-one
ME106758
10785
C01147
6.86
115.0757
2-Hydroxycyclohexan-1-one_2
2-Hydroxycyclohexan-1-one
ME106759
10785
C01147
7.71
115.0756
2-Hydroxycyclohexan-1-one_3
2-Hydroxycyclohexan-1-one
ME106760
10785
C01147
13.36
115.0757
4-Chloroacetanilide
4-Chloroacetanilide
ME106835
10871
C14494
2.28
170.0365
5-Valerolactone_1
5-Valerolactone
ME106902
10953
C02240
4.32
101.0603
5-Valerolactone_2
5-Valerolactone
ME106903
10953
C02240
4.02
101.0603
5-Valerolactone_3
5-Valerolactone
ME106904
10953
C02240
0.89
101.0603
N-ACETYLGLYCINE
N-Acetylglycine
ME107349
10972
-
1.29
140.032
Pseudopelletierine
psi-Pelletierine
ME107476
11096
C10865
7.94
154.1228
Linamarin_1
Linamarin
ME107267
11128
C01594
9.26
248.1109
Linamarin_2
Linamarin
ME107268
11128
C01594
8.3
248.111
Prenol
3-Methyl-2-buten-1-ol
ME107471
11173
C01390
3.81
87.0812
Succinimide_1
Succinimide
ME107519
11439
C07273
1.81
100.0399
Succinimide_2
Succinimide
ME107520
11439
C07273
1.29
100.0399
Diisopropyl phthalate_1
-
ME107103
11799
C14468
12.27
251.1278
Diisopropyl phthalate_2
-
ME107104
11799
C14468
10.11
251.1258
alpha-Oxo-benzeneacetic acid
Phenylglyoxylic acid
ME106940
11915
C02137
7.09
151.0394
Acetylcysteine
N-Acetylcysteine
ME106927
12035
C06809
0.99
164.0375
Pentanamide
Pentanamide
ME107446
12298
C01842
1.44
102.0919
Phendimetrazine_1
Phendimetrazine
ME107448
12460
C07904
7.7
192.1383
Phendimetrazine_2
Phendimetrazine
ME107449
12460
C07904
11.2
192.1384
Precocene II
Precocene II
ME107469
12565
C09018
14.32
221.1173
Allophanic acid methyl ester
Methyl allophanate
ME106934
12976
C10899
2.74
119.0457
N-Cyclohexylformamide_1
N-Cyclohexylformamide
ME107373
13017
C11519
8.8
128.1072
N-Cyclohexylformamide_2
N-Cyclohexylformamide
ME107374
13017
C11519
8.38
128.1072
N-Cyclohexylformamide_3
N-Cyclohexylformamide
ME107375
13017
C11519
3.81
128.1073
N-Methyl-2-pyrrolidinone_1
2-Pyrrolidinone
ME107397
13387
C11118
5.17
100.0763
N-Methyl-2-pyrrolidinone_2
2-Pyrrolidinone
ME107398
13387
C11118
6.9
100.0763
N-Methyl-2-pyrrolidinone_3
2-Pyrrolidinone
ME107399
13387
C11118
2.22
100.0763
N-Methyl-2-pyrrolidinone_4
2-Pyrrolidinone
ME107400
13387
C11118
6.43
100.0762
N-Methyl-2-pyrrolidinone_5
2-Pyrrolidinone
ME107401
13387
C11118
7.34
100.0764
Deoxycytidine
Deoxycytidine
ME107081
13711
C00881
1.19
228.0979
Dodecanamide
Dodecanamide
ME107119
14256
C13831
12.63
200.201
alpha-Tocopherol
alpha-Tocopherol
ME106945
14985
C02477
16.54
431.3884
Cycloheptanecarboxylic acid_1
Cycloheptanecarboxylic acid
ME107054
15091
C12104
7.07
143.1068
Cycloheptanecarboxylic acid_2
Cycloheptanecarboxylic acid
ME107055
15091
C12104
9.32
143.1068
Cycloheptanecarboxylic acid_3
Cycloheptanecarboxylic acid
ME107056
15091
C12104
8.74
143.1068
Metaxalone
Metaxalone
ME107309
15459
C07934
9.3
222.1119
Flumethasone
Flumethasone
ME107154
16490
C14479
11.46
411.1993
3-Isopropylcatechol_1
3-Isopropylcatechol
ME106799
16498
C01014
8.97
153.0911
3-Isopropylcatechol_2
3-Isopropylcatechol
ME106800
16498
C01014
8.54
153.0911
Hydrocortisone succinate
Hydrocortisone succinate
ME107201
16623
C12888
11.85
463.233
6-DEOXY-L-GALACTOSE
D-Fucose
ME106905
17106
C01019
0.89
187.0578
N-Acetylimidazole_1
N-Acetylimidazole
ME107350
17174
C02560
0.89
111.0558
N-Acetylimidazole_2
N-Acetylimidazole
ME107351
17174
C02560
6.34
111.0557
4-ACETAMIDOBUTANOATE
4-Acetamidobutanoic acid
ME106826
18189
C02946
3.71
168.0631
MANNOSE
Mannose
ME107307
18950
C00159
0.78
203.0526
Fuberidazole
Fubridazole
ME107156
19756
C18737
9.12
185.0711
Beclomethasone
Beclomethasone
ME106970
20469
C06842
12.5
409.1748
Deethylatrazine
6-Chloro-N-(1-methylethyl)-1,3,5-triazine-2,4-diamine
ME107073
22563
C06559
7.75
188.0707
Indan-1-ol
Indan-1-ol
ME107207
22819
C01710
9.9
135.0806
N-METHYL-D-ASPARTIC ACID
N-Methyl-D-aspartic acid
ME107402
22880
C12269
0.82
148.0605
Sodium sulfate
Sulfate
ME107505
24436
C13199
0.89
142.9387
Ancitabin hydrochloride
Ancitabine
ME106949
25050
C13112
0.89
131.5338
L-Rhamnose
Rhamnose
ME107290
25310
C00507
0.89
165.0758
Nonane-4,6-dione
Nonane-4,6-dione
ME107411
26454
C02445
11.31
157.1224
(+)-Norephedrine
Phenylpropanolamine
ME106662
26934
C02343
10.12
152.1071
1-Methyladenosine
1-Methyladenosine
ME106717
27476
C02494
3.89
282.1198
Distigmine
-
ME107113
27522
C16823
12.21
417.2484
Lophophorine
Lophophorine
ME107282
28654
C09573
7.56
236.1281
4-Hexyloxyphenol
-
ME106843
29354
C14305
12.74
195.1381
Zingerone
Zingerone
ME107579
31211
C17497
13.52
195.1017
Phenyl acetate
Phenyl acetate
ME107451
31229
C00548
7.8
137.0598
Metipranolol
Metipranolol
ME107325
31477
C07915
8.14
310.2013
Pirimicarb
Pirimicarb
ME107467
31645
C11079
7.18
239.1488
L-Glutamate
Glutamic acid
ME107260
33032
C00025
2.74
148.0606
Ripazepam
-
ME107488
33474
C19518
12.27
269.1385
N-ACETYL-D-GALACTOSAMINE
N-Acetylgalactosamine
ME107347
35717
C01132
0.82
244.079
Carbamorph
-
ME107007
35953
C18923
8.45
221.0786
4-HYDROXY-L-PHENYLGLYCINE
4-Hydroxyphenylglycine
ME106849
36143
C12323
0.8
168.0657
Etomidate
Etomidate
ME107140
36339
C07522
8.84
245.1286
Cyphenothrin
Cyphenothrin
ME107063
38283
C12962
16.37
376.1931
Diltiazem
Diltiazem
ME107106
39186
C06958
9.34
415.1646
Daimuron
-
ME107069
39238
C18427
13.38
269.1646
Dimethachlor_1
-
ME107107
39722
C18718
10.82
256.1081
Dimethachlor_2
-
ME107108
39722
C18718
9.19
256.1096
Furmecyclox
Furmecyclox
ME107162
43359
C18912
9.2
252.1594
Fenpropathrin
Fenpropathrin
ME107148
47326
C18411
16.07
350.178
Furathiocarb
Furathiocarb
ME107158
47759
C18650
15.87
383.1672
3-Chloro-4-(dichloromethyl)-5-hydroxy-2(5H)-furano...
-
ME106794
53665
C19205
0.72
216.923
Castanospermine_1
Castanospermine
ME107009
54445
C02256
9.21
190.1056
Castanospermine_2
Castanospermine
ME107010
54445
C02256
3.07
190.1074
Castanospermine_3
Castanospermine
ME107011
54445
C02256
7.72
190.1075
Cidofovir
Cidofovir
ME107018
60613
C06909
0.89
140.5389
1,2-Bis(chloromethoxy)ethane
-
ME106698
61632
C19348
2.14
158.9966
Dodemorph
-
ME107120
61899
C18786
16.19
282.2792
N-Nitrosoguvacoline_1
-
ME107406
62103
C19482
3.58
171.0766
N-Nitrosoguvacoline_2
-
ME107407
62103
C19482
1.31
171.0765
Vanillyl alcohol
4-Hydroxy-3-methoxybenzenemethanol
ME107571
62348
C06317
7.81
155.0704
Apoatropine_1
Apoatropine
ME106955
64695
C10843
9.65
272.1645
Apoatropine_2
Apoatropine
ME106956
64695
C10843
11.18
272.1645
beta-Carboline_1
beta-Carboline
ME106979
64961
C20157
8.61
169.076
beta-Carboline_2
beta-Carboline
ME106980
64961
C20157
8.23
169.0761
beta-Carboline_3
beta-Carboline
ME106981
64961
C20157
9.24
169.076
beta-Carboline_4
beta-Carboline
ME106982
64961
C20157
10.56
169.0757
N(PAI)-METHYL-L-HISTIDINE
3-Methylhistidine
ME107335
64969
C01152
0.78
170.0925
dUMP
dUMP
ME107123
65063
C00365
1.29
155.0284
3-AMINO-4-HYDROXYBENZOIC ACID
3-Amino-4-hydroxybenzoic acid
ME106789
65083
-
1.78
154.0501
Dikegulac
-
ME107105
65420
C18825
7.2
275.1101
4-Dodecylphenol_1
4-Dodecylphenol
ME106836
66030
C14245
16.38
263.2371
4-Dodecylphenol_2
4-Dodecylphenol
ME106837
66030
C14245
15.41
263.2371
3-tert-Butyl-5-methylcatechol
3-tert-Butyl-5-methylcatechol
ME106818
66095
C03929
11.55
181.1224
D-(-)-ARABINOSE
Arabinose
ME107067
66308
-
0.84
173.0422
Estradiol-17beta 3-sulfate
Estradiol-17beta 3-sulfate
ME107130
66416
C08357
9.32
177.073
Protoanemonin
Protoanemonin
ME107475
66948
C07090
0.79
97.029
Deoxyvasicinone
Deoxyvasicinone
ME107082
68261
C10659
9.22
187.0867
Taurocyamine
Taurocyamine
ME107530
68340
C01959
6.24
168.0454
Nebularine
Nebularine
ME107377
68368
C01736
4.07
253.0912
N1-Methyl-2-pyridone-5-carboxamide
N1-Methyl-2-pyridone-5-carboxamide
ME107339
69698
C05842
5.22
153.066
L-Tyrosine methyl ester
Methyl tyrosinate
ME107298
70652
C03404
7.38
196.0969
Fagomine_1
Fagomine
ME107142
72259
C10144
4.3
148.0969
Fagomine_2
Fagomine
ME107143
72259
C10144
1.3
148.0969
Fagomine_3
Fagomine
ME107144
72259
C10144
1.93
148.0969
Fagomine_4
Fagomine
ME107145
72259
C10144
3.78
148.0969
Peganine
-
ME107442
72610
C10733
6.96
189.1024
N,N'-Diacetylhydrazine
-
ME107336
72884
C16622
0.85
117.0665
L-Cysteate
Cysteic acid
ME107253
72886
C00506
1.31
170.0125
L-CYSTEIC ACID
Cysteic acid
ME107254
72886
C00506
0.78
170.0119
Tos-Lys-CH2Cl
-
ME107547
73094
C00896
10.88
333.1041
METHYL INDOLE-3-ACETATE
Indole-3-methyl acetate
ME107316
74706
-
10.69
190.0863
N-Acetyl-L-phenylalanine
N-Acetylphenylalanine
ME107359
74839
C03519
8.9
208.097
N-FORMYLGLYCINE
N-Formylglycine
ME107384
75606
-
1.06
104.0348
N-Acetyl-L-leucine_1
N-Acetylleucine
ME107354
75619
C02710
8.24
174.1113
N-Acetyl-L-leucine_2
N-Acetylleucine
ME107355
75619
C02710
8.87
174.1126
N-Acetyl-L-leucine_3
N-Acetylleucine
ME107356
75619
C02710
1.25
174.1126
N-Acetyl-L-leucine_4
N-Acetylleucine
ME107357
75619
C02710
2.25
174.1127
N-Acetyl-L-leucine_5
N-Acetylleucine
ME107358
75619
C02710
3.3
174.1126
9-Oxononanoic acid
9-Oxo-nonanoic acid
ME106920
75704
C16322
8.44
173.1174
Methylimidazoleacetic acid_1
Methylimidazoleacetic acid
ME107322
75810
C05828
1.19
141.0661
Methylimidazoleacetic acid_2
Methylimidazoleacetic acid
ME107323
75810
C05828
6.94
141.066
Methylimidazoleacetic acid_3
Methylimidazoleacetic acid
ME107324
75810
C05828
1.69
141.0661
3-Methylguanine_1
3-Methylguanine
ME106809
76292
C02230
2.8
166.0724
3-Methylguanine_2
3-Methylguanine
ME106810
76292
C02230
3.73
166.0724
2,5-Furandicarboxylate
-
ME106735
76720
C20450
2.05
157.0133
1-(1-Oxopropyl)-1H-imidazole_1
N-Propanoylimidazole
ME106694
77770
C03007
1.15
125.0713
1-(1-Oxopropyl)-1H-imidazole_2
N-Propanoylimidazole
ME106695
77770
C03007
6.28
125.0713
Tremetone
Tremetone
ME107553
78673
C08992
14.32
203.1068
TES
-
ME107535
81831
C05353
3.84
230.0702
6-Methoxymellein
-
ME106910
83412
C02381
10.22
209.0809
Furfural diethyl acetal_1
-
ME107159
83553
C14280
9.34
171.1017
Furfural diethyl acetal_2
-
ME107160
83553
C14280
8.95
171.1018
3,4-Dihydroxymandelate_1
3,4-Dihydroxymandelic acid
ME106783
85782
C05580
8.85
185.0446
3,4-Dihydroxymandelate_2
3,4-Dihydroxymandelic acid
ME106784
85782
C05580
7.96
185.0446
Imidacloprid
Imidacloprid
ME107205
86418
C11110
0.98
256.0578
N-Methylpelletierine_1
Methylisopelletierine
ME107404
86786
C06184
6.64
156.1385
N-Methylpelletierine_2
Methylisopelletierine
ME107405
86786
C06184
8.35
156.1385
N-ACETYL-L-ALANINE
N-Acetylalanine
ME107352
88064
-
2.29
154.0475
L-2-Aminoadipate_1
alpha-Aminoadipic acid
ME107239
92136
C00956
1.56
162.0761
L-2-Aminoadipate_2
alpha-Aminoadipic acid
ME107240
92136
C00956
1.87
162.0761
N6-(delta2-Isopentenyl)-adenine
N6-Isopentenyladenine
ME107343
92180
C04083
5.31
204.1231
Phenylacetylglutamine
alpha-N-Phenylacetylglutamine
ME107452
92258
C04148
8.07
265.1183
Glycyl-leucine_1
Gly-Leu
ME107178
92843
C02155
4.46
189.1233
Glycyl-leucine_2
Gly-Leu
ME107179
92843
C02155
6.14
189.1233
Glycyl-leucine_3
Gly-Leu
ME107180
92843
C02155
2.48
189.1233
Glycyl-leucine_4
Gly-Leu
ME107181
92843
C02155
5.46
189.1233
Glycyl-leucine_5
Gly-Leu
ME107182
92843
C02155
6.81
189.1233
L-Albizziine_1
-
ME107242
92891
C08264
0.77
148.073
L-Albizziine_2
-
ME107243
92891
C08264
7.75
148.0727
Indolelactate_1
Indolelactic acid
ME107218
92904
C02043
9.37
206.0813
Indolelactate_2
Indolelactic acid
ME107219
92904
C02043
8.96
206.0812
5,6-Dihydrothymine_1
Dihydrothymine
ME106867
93556
C00906
0.94
129.0662
5,6-Dihydrothymine_2
Dihydrothymine
ME106868
93556
C00906
3.2
129.0661
5,6-Dihydrothymine_3
Dihydrothymine
ME106869
93556
C00906
1.8
129.0662
4-IMIDAZOLEACETIC ACID
Imidazoleacetic acid
ME106851
96215
C02835
1.05
127.0504
Murrayanine
Murrayanine
ME107329
96942
C09228
9.79
226.0872
Diethyl 2-methyl-3-oxosuccinate
4-Heptenal diethyl acetal
ME107093
97750
C04067
7.35
203.0915
L-ALLOTHREONINE
Allothreonine
ME107244
99289
C05519
0.79
142.0476
2-Hydroxyamino-1-methyl-6-phenylimidazo[4,5-b]pyri...
-
ME106757
104954
C20286
11.13
241.1072
4-Oxoproline_1
4-Oxo-proline
ME106859
107541
C01877
0.77
130.0501
4-Oxoproline_2
4-Oxo-proline
ME106860
107541
C01877
2.47
130.0503
Indospicine_1
Indospicine
ME107220
108010
C08288
6.26
174.1238
Indospicine_2
Indospicine
ME107221
108010
C08288
3.5
174.1239
Rishitin
Rishitin
ME107489
108064
C09715
16.45
223.1694
D-Octopine_1
D-Octopine
ME107117
108172
C04137
16.34
247.1398
D-Octopine_2
D-Octopine
ME107118
108172
C04137
2.99
247.1401
Androsterone glucuronide
Androsterone 3-glucuronide
ME106950
114833
C11135
12.82
467.2621
1'-Acetoxychavicol acetate
-
ME106710
119104
C10426
9.17
235.0942
Maculosin
Cyclo(Pro-Tyr)
ME107300
119404
C10605
7.79
261.1235
Mannopine
-
ME107306
121864
C16692
11.28
311.1465
N-Acetylputrescine
N-Acetylputrescine
ME107366
122356
C02714
0.77
131.1181
N-ACETYLPUTRESCINE
N-Acetylputrescine
ME107365
122356
C02714
1.21
131.118
Dehydroalanine_1
2-Aminoacrylic acid
ME107074
123991
C02218
1.15
88.04
Dehydroalanine_2
2-Aminoacrylic acid
ME107075
123991
C02218
6.8
88.04
Dehydroalanine_3
2-Aminoacrylic acid
ME107076
123991
C02218
7.34
88.04
Dehydroalanine_4
2-Aminoacrylic acid
ME107077
123991
C02218
8.38
88.0401
Glutathione
Glutathione
ME107167
124886
C00051
14.04
308.0889
Ectoine
Ectoine
ME107125
126041
C06231
1.1
143.0817
4-Fluoro-L-threonine
-
ME106839
128057
C15533
9.28
138.0571
alpha-EMTBL_1
alpha-Emtbl
ME106937
128423
C13720
5.15
145.0689
alpha-EMTBL_2
alpha-Emtbl
ME106938
128423
C13720
4.67
145.0689
N6-Acetyl-N6-hydroxy-L-lysine
N(6)-Acetyl-N(6)-hydroxy-lysine
ME107344
128888
C03955
1.33
205.1183
4a-Hydroxytetrahydrobiopterin
4a-Hydroxytetrahydrobiopterin
ME106827
129803
C15522
3.67
258.1197
L-2,4-Diaminobutanoate
2,4-Diaminobutyric acid
ME107238
134490
C03283
1.02
119.0821
N-Amidino-L-glutamate
alpha-Guanidinoglutaric acid
ME107372
135313
C03140
1.95
190.0822
L-PROLINE
Proline
ME107289
145742
C00148
0.92
116.0711
3-Methyleneoxindole_1
3-Methyleneoxindole
ME106806
150946
C02796
7.75
146.0602
3-Methyleneoxindole_2
3-Methyleneoxindole
ME106807
150946
C02796
9.89
146.0601
3-Methyleneoxindole_3
3-Methyleneoxindole
ME106808
150946
C02796
7.38
146.0602
2-Hydroxy-1,4-benzoquinone
-
ME106754
151011
C07103
1.18
125.0237
3-Methyldioxyindole
3-Methyldioxyindole
ME106805
151066
C05834
10.46
164.0707
Phosphodimethylethanolamine
N,N-Dimethylethanolamine phosphate
ME107456
151438
C13482
13.15
170.056
N-(Acetyloxy)benzenamine_1
N-(Acetyloxy)benzenamine
ME107333
153367
C02709
6.43
152.0708
N-(Acetyloxy)benzenamine_2
N-(Acetyloxy)benzenamine
ME107334
153367
C02709
7.06
152.0707
Janthitrem C_1
-
ME107235
156106
C20601
13.42
570.3557
Janthitrem C_2
-
ME107236
156106
C20601
12.91
570.3558
L-Methionine S-oxide_1
Methionine sulfoxide
ME107278
158980
C02989
0.84
166.0534
L-Methionine S-oxide_2
Methionine sulfoxide
ME107279
158980
C02989
1.5
166.0534
delta-Guanidinovaleric acid_1
DGVA
ME107078
160464
C13688
3.74
160.1082
delta-Guanidinovaleric acid_2
DGVA
ME107079
160464
C13688
1.61
160.1081
L-Kynurenine
Kynurenine
ME107273
161166
C00328
6.64
209.0922
(-)-Glyceollin I
Glyceollin I
ME106649
162807
C01701
8.84
170.0651
11H-Benz[bc]aceanthrylene
-
ME106706
164558
C19335
0.8
241.103
N6-Methyl-L-lysine
N(6)-Methyllysine
ME107345
164795
C02728
0.76
161.1285
L-Histidinol_1
L-Histidinol
ME107264
165271
C00860
1.98
142.0976
L-Histidinol_2
L-Histidinol
ME107265
165271
C00860
3.68
142.0976
Tussilagine_1
Tussilagine
ME107558
185071
C10411
6.2
200.1282
Tussilagine_2
Tussilagine
ME107559
185071
C10411
3.62
200.1283
Tussilagine_3
Tussilagine
ME107560
185071
C10411
4.46
200.1282
Botrydial_1
Botrydial
ME106991
185781
C09622
12.3
311.1852
Botrydial_2
Botrydial
ME106992
185781
C09622
12.64
311.1853
2'-DEOXYGUANOSINE
Deoxyguanosine
ME106748
187790
C00330
5.91
268.1041
O-Propanoylcarnitine_1
CAR 3:0
ME107422
188824
C03017
6.93
218.1388
O-Propanoylcarnitine_2
CAR 3:0
ME107423
188824
C03017
3.19
218.1388
O-Propanoylcarnitine_3
CAR 3:0
ME107424
188824
C03017
3.55
218.1388
O-Propanoylcarnitine_4
CAR 3:0
ME107425
188824
C03017
9.2
218.1387
N-Acetoxy-4-aminobiphenyl
-
ME107346
189661
C03621
12.15
228.1013
D-Lysopine_1
-
ME107114
193187
C04020
6.61
219.134
D-Lysopine_2
-
ME107115
193187
C04020
2.75
219.134
D-Lysopine_3
-
ME107116
193187
C04020
2.29
219.134
Dinotefuran
Dinotefuran
ME107111
197701
C18509
1.32
203.1139
Fasoracetam
Fasoracetam
ME107146
198695
C13311
7.63
197.1285
O-Butanoylcarnitine_1
CAR 4:0
ME107416
213144
C02862
7.61
232.1543
O-Butanoylcarnitine_2
CAR 4:0
ME107417
213144
C02862
6.77
232.1544
(-)-Menthyl acetate_1
Menthyl acetate
ME106654
220674
C09870
12.7
199.1695
(-)-Menthyl acetate_2
Menthyl acetate
ME106655
220674
C09870
15.16
199.1695
(-)-Menthyl acetate_3
Menthyl acetate
ME106656
220674
C09870
13.73
199.1694
Cortisone
Cortisone
ME107038
222786
C00762
10.17
361.201
11beta,16alpha,17alpha,21-Tetrahydroxy-9alpha-fluo...
-
ME106705
228786
C14664
7.94
437.2363
9-Fluoro-16alpha-hydroxyandrost-4-ene-3,11,17-trio...
-
ME106919
236828
C15105
16.37
335.1668
5-Hydroxyisourate_1
5-Hydroxyisouric acid
ME106890
250388
C11821
1.97
185.0307
5-Hydroxyisourate_2
5-Hydroxyisouric acid
ME106891
250388
C11821
3.81
185.0289
3-Ethoxyandrosta-3,5-dien-17beta-ol propanoate_1
-
ME106795
251872
C15057
11.25
373.2736
3-Ethoxyandrosta-3,5-dien-17beta-ol propanoate_2
-
ME106796
251872
C15057
12.78
373.2736
1-Dehydro-9-fluoro-11-oxotestololactone
-
ME106715
253326
C15387
15.59
333.1514
2,2-Dimethyl-3-[4-(acetyloxy)phenyl]-4-ethyl-2H-1-...
-
ME106727
256418
C15050
10.29
191.0887
Austrobailignan 1
Austrobailignan 1
ME106966
325700
C10546
0.78
383.1159
Crotanecine_1
Crotanecine
ME107044
394146
C10284
8.38
172.0969
Crotanecine_2
Crotanecine
ME107045
394146
C10284
3.67
172.0969
2-Amino-1,2-bis(p-chlorophenyl)ethanol
-
ME106740
411181
C15427
8.54
282.0421
(3-Arylcarbonyl)-alanine
-
ME106666
412786
C03450
8.78
194.0814
5'-Methylthioadenosine
5'-Methylthioadenosine
ME106896
439176
C00170
8.85
298.0965
L-Pipecolate_1
Pipecolic acid
ME107284
439227
C00408
2.8
130.0867
L-Pipecolate_2
Pipecolic acid
ME107285
439227
C00408
6.74
130.0865
L-Pipecolate_3
Pipecolic acid
ME107286
439227
C00408
1.02
130.0866
L-Pipecolate_4
Pipecolic acid
ME107287
439227
C00408
7.38
130.0865
L-PIPECOLIC ACID
Pipecolic acid
ME107288
439227
C00408
1.41
130.0865
N-Acetylornithine_1
N-Acetylornithine
ME107361
439232
C00437
1.1
175.1078
N-Acetylornithine_2
N-Acetylornithine
ME107362
439232
C00437
1.96
175.1079
N-Acetylornithine_3
N-Acetylornithine
ME107363
439232
C00437
6.95
175.1078
N-Acetylornithine_4
N-Acetylornithine
ME107364
439232
C00437
2.95
175.1078
N-Formimino-L-glutamate
Formiminoglutamic acid
ME107382
439233
C00439
1.18
175.0715
L-Aspartate 4-semialdehyde_1
Aspartate-semialdehyde
ME107249
439235
C00441
1.23
118.0506
L-Aspartate 4-semialdehyde_2
Aspartate-semialdehyde
ME107250
439235
C00441
1.82
118.0503
L-Aspartate 4-semialdehyde_3
Aspartate-semialdehyde
ME107251
439235
C00441
0.88
118.0508
Lichenin
Lichenin
ME107266
439241
C00478
0.79
163.0602
(-)-Limonene_1
Limonene
ME106651
439250
C00521
8.46
137.1326
(-)-Limonene_2
Limonene
ME106652
439250
C00521
11.74
137.1326
(-)-Limonene_3
Limonene
ME106653
439250
C00521
12.61
137.1326
5-Hydroxy-L-tryptophan_1
5-Hydroxy-tryptophan
ME106892
439280
C00643
4.06
221.0922
5-Hydroxy-L-tryptophan_2
5-Hydroxy-tryptophan
ME106893
439280
C00643
6.8
221.0922
5-Hydroxy-L-tryptophan_3
5-Hydroxy-tryptophan
ME106894
439280
C00643
2.34
221.0922
5-Hydroxy-L-tryptophan_4
5-Hydroxy-tryptophan
ME106895
439280
C00643
11.93
221.0935
2-Oxooctadecanoic acid_1
2-Oxo-octadecanoic acid
ME106768
439332
C00869
15.05
299.2582
2-Oxooctadecanoic acid_2
2-Oxo-octadecanoic acid
ME106769
439332
C00869
13.07
299.2582
4-Methylene-L-glutamine_1
4-Methylene-glutamine
ME106856
439401
C01109
0.84
159.0765
4-Methylene-L-glutamine_2
4-Methylene-glutamine
ME106857
439401
C01109
1.24
159.0766
4-Methylene-L-glutamine_3
4-Methylene-glutamine
ME106858
439401
C01109
4.23
159.0765
1,3,8-Naphthalenertriol
Naphthalene-1,3,8-triol
ME106699
439428
C01173
12.54
177.0548
Methyl 2-diazoacetamidohexonate_1
Methyl 2-diazoacetamidohexonate
ME107312
439447
C01223
7.81
215.1253
Methyl 2-diazoacetamidohexonate_2
Methyl 2-diazoacetamidohexonate
ME107313
439447
C01223
9.95
215.1279
Methyl 2-diazoacetamidohexonate_3
Methyl 2-diazoacetamidohexonate
ME107314
439447
C01223
9.22
215.1279
6-Hydroxypseudooxynicotine
6-Hydroxypseudooxynicotine
ME106909
439476
C01297
5.63
195.1128
3-Oxododecanoic acid_1
3-Oxododecanoic acid
ME106814
439717
C02367
11.42
215.1642
3-Oxododecanoic acid_2
3-Oxododecanoic acid
ME106815
439717
C02367
12.61
215.1644
3-Oxohexobarbital
3-Oxohexobarbital
ME106816
439745
C02517
9.34
252.1116
4-Hydroxy-2-butynal_1
4-Hydroxybut-2-ynal
ME106844
439778
C02648
0.79
85.0291
4-Hydroxy-2-butynal_2
4-Hydroxybut-2-ynal
ME106845
439778
C02648
1.45
85.0291
N-Ethylglycocyamine
N-Ethylglycocyamine
ME107379
439826
C02852
7.75
208.1161
3-Hydroxyhexobarbital
3'-Hydroxyhexobarbital
ME106798
439898
C03068
9.44
253.1199
3-Oxo-5beta-cholanate_1
Dehydrolithocholic acid
ME106812
439899
C03070
12.47
375.2894
3-Oxo-5beta-cholanate_2
Dehydrolithocholic acid
ME106813
439899
C03070
12.02
375.2894
5-Acetamidopentanoate_1
5-Acetamidovaleric acid
ME106872
439903
C03087
2.27
160.0969
5-Acetamidopentanoate_2
5-Acetamidovaleric acid
ME106873
439903
C03087
8.22
160.0969
5-Acetamidopentanoate_3
5-Acetamidovaleric acid
ME106874
439903
C03087
1.25
160.0969
5-Acetamidopentanoate_4
5-Acetamidovaleric acid
ME106875
439903
C03087
5.35
160.0969
5-Acetamidopentanoate_5
5-Acetamidovaleric acid
ME106876
439903
C03087
7.23
160.0969
5-Acetamidopentanoate_6
5-Acetamidovaleric acid
ME106877
439903
C03087
2.84
160.0969
5-Acetamidopentanoate_7
5-Acetamidovaleric acid
ME106878
439903
C03087
3.66
160.0971
5-Methylthio-D-ribose
5-Methylthioribose
ME106897
439904
C03089
1.25
181.053
N-Acetyl-D-tryptophan
N-Acetyl-D-tryptophan
ME107348
439917
C03137
9.32
247.1077
5-O-Methyl-myo-inositol
1D-5-O-Methyl-myo-inositol
ME106898
439990
C03365
7.99
195.0878
1-Pyrroline-2-carboxylate_1
1-Pyrroline-2-carboxylic acid
ME106722
440046
C03564
2.01
114.0554
1-Pyrroline-2-carboxylate_2
1-Pyrroline-2-carboxylic acid
ME106723
440046
C03564
1.25
114.0555
1-Pyrroline-2-carboxylate_3
1-Pyrroline-2-carboxylic acid
ME106724
440046
C03564
3.15
114.0554
NEPSILON,NEPSILON,NEPSILON-TRIMETHYLLYSINE
N-6-Trimethyllysine
ME107378
440120
C03793
0.77
189.1598
5-exo-Hydroxy-1,2-campholide
5-exo-Hydroxy-1,2-campholide
ME106886
440138
C03843
9.97
185.1174
Thiomorpholine 3-carboxylate_1
Thiomorpholine-3-carboxylic acid
ME107536
440159
C03901
0.81
148.0425
Thiomorpholine 3-carboxylate_2
Thiomorpholine-3-carboxylic acid
ME107537
440159
C03901
1.48
148.0427
Thiomorpholine 3-carboxylate_3
Thiomorpholine-3-carboxylic acid
ME107538
440159
C03901
3.56
148.0427
N,N-Dimethylhistidine
N,N-Dimethylhistidine
ME107337
440274
C04259
3.08
184.1082
cis-1,2-Dihydronaphthalene-1,2-diol_1
(1R,2S)-1,2-Dihydronaphthalene-1,2-diol
ME107023
440294
C04314
14.68
163.0755
cis-1,2-Dihydronaphthalene-1,2-diol_2
(1R,2S)-1,2-Dihydronaphthalene-1,2-diol
ME107024
440294
C04314
11.15
163.0755
cis-1,2-Dihydronaphthalene-1,2-diol_3
(1R,2S)-1,2-Dihydronaphthalene-1,2-diol
ME107025
440294
C04314
14.34
163.0755
Diethyl (2R,3R)-2-methyl-3-hydroxysuccinate_1
-
ME107091
440395
C04586
8.09
205.1069
Diethyl (2R,3R)-2-methyl-3-hydroxysuccinate_2
-
ME107092
440395
C04586
7.55
205.1071
Nuatigenin
Nuatigenin
ME107415
440453
C04715
13.26
431.3158
7-Dehydrodesmosterol
7-Dehydro-desmosterol
ME106912
440558
C05107
15.09
383.3311
6-Hydroxyprotopine
-
ME106908
440587
C05190
10.89
370.1318
L-Lysine 1,6-lactam
L-2-aminohexano-6-lactam
ME107276
440599
C02837
1.26
129.1025
Indole-5,6-quinone
Indole-5,6-quinone
ME107217
440728
C05579
0.86
148.039
4,8-Dihydroxyquinoline_1
Quinoline-4,8-diol
ME106820
440737
C05637
9.65
162.055
4,8-Dihydroxyquinoline_2
Quinoline-4,8-diol
ME106821
440737
C05637
8.07
162.0551
5-Hydroxyindoleacetylglycine
5-Hydroxyindoleacetylglycine
ME106889
440806
C05832
7.1
249.0869
Arbutin
Arbutin
ME106959
440936
C06186
8.36
273.0957
Dimethylenetriurea
Dimethylenetriurea
ME107110
441000
C06385
11.21
205.1044
alpha-Erythroidine
alpha-Erythroidine
ME106939
441076
C06531
12.64
274.1447
N-Isopropylammelide_1
N-Isopropylammelide
ME107392
441083
C06553
8.61
171.0887
N-Isopropylammelide_2
N-Isopropylammelide
ME107393
441083
C06553
9.23
171.0887
N-Isopropylammelide_3
N-Isopropylammelide
ME107394
441083
C06553
8.23
171.0888
Dihydroclavaminic acid_1
Dihydroclavaminic acid
ME107100
441125
C06659
6.29
201.0871
Dihydroclavaminic acid_2
Dihydroclavaminic acid
ME107101
441125
C06659
3.23
201.0871
cis-1,2-Dihydro-3-ethylcatechol_1
cis-1,2-Dihydro-3-ethylcatechol
ME107021
441155
C06727
7.39
141.0911
cis-1,2-Dihydro-3-ethylcatechol_2
cis-1,2-Dihydro-3-ethylcatechol
ME107022
441155
C06727
8.51
141.0911
Netilmicin
Netilmicin
ME107381
441306
C07657
8.07
476.3069
Homostachydrine_1
(S)-Homostachydrine
ME107196
441447
C08283
1.96
158.1177
Homostachydrine_2
(S)-Homostachydrine
ME107197
441447
C08283
7.43
158.1177
Homostachydrine_3
(S)-Homostachydrine
ME107198
441447
C08283
8.82
158.1176
Homostachydrine_4
(S)-Homostachydrine
ME107199
441447
C08283
7.87
158.1177
Homostachydrine_5
(S)-Homostachydrine
ME107200
441447
C08283
6.43
158.1176
10,16-Dihydroxyhexadecanoic acid
-
ME106704
441449
C08285
11.72
289.2373
D-Glucosamine
Glucosamine
ME107084
441477
C00329
5.75
180.088
D-(+)-GLUCOSAMINE
Glucosamine
ME107068
441477
C08349
0.79
180.0867
2,2-Dimethyl-8-prenylchromene 6-carboxylic acid
2,2-Dimethyl-8-prenylchromene 6-carboxylic acid
ME106728
441962
C09003
10.55
273.1485
Adifoline
Adifoline
ME106931
441972
C09020
12.18
425.1359
Montanin A
Montanin A
ME107327
442061
C09136
14.83
313.1434
(-)-Columbianetin
-
ME106648
442104
C09210
9.43
247.0941
Hypaphorine
Lenticin
ME107202
442106
C09213
8.11
247.1441
Bakkenolide A
Bakkenolide A
ME106968
442173
C09350
14.33
235.1694
Lophocerine
Lophocerine
ME107281
442313
C09571
9.91
250.1801
Phytuberin_1
Phytuberin
ME107458
442387
C09709
12.89
295.1905
Phytuberin_2
Phytuberin
ME107459
442387
C09709
13.27
295.1905
Boschnialactone_1
Boschnialactone
ME106989
442420
C09772
10.64
155.1067
Boschnialactone_2
Boschnialactone
ME106990
442420
C09772
9.99
155.1067
gamma-Coniceine
gamma-Coniceine
ME107163
442632
C10138
7.26
126.128
Cucurbitine_1
-
ME107049
442634
C10140
1.07
131.0818
Cucurbitine_2
-
ME107050
442634
C10140
2.19
131.0818
Aniflorine
Aniflorine
ME106951
442881
C10635
9.38
352.1656
Calystegin B2_1
Calystegin B2
ME107002
443000
C10851
5.05
176.0918
Calystegin B2_2
Calystegin B2
ME107003
443000
C10851
1.16
176.0919
Calystegin B2_3
Calystegin B2
ME107004
443000
C10851
6.84
176.0918
Calystegin B2_4
Calystegin B2
ME107005
443000
C10851
3.42
176.0919
N-(2-Methoxyphenyl)-N'-(2-naphtyl)urea
-
ME107331
443080
C11163
3.88
293.1273
Hetacillin
Hetacillin
ME107190
443387
C11729
9.41
390.1481
N-Heptanoylhomoserine lactone
N-Heptanoyl-homoserine lactone
ME107386
443437
C11844
7.27
214.1438
Taxa-4(20),11(12)-dien-5alpha-yl acetate_1
-
ME107531
443486
C11896
16.27
331.2633
Taxa-4(20),11(12)-dien-5alpha-yl acetate_2
-
ME107532
443486
C11896
16.62
331.2633
2-(Biaryl)carbapenems
-
ME106725
443582
C12019
9.34
175.5732
2,6-Diamino-7-hydroxy-azelaic acid
-
ME106736
443585
C12025
9.13
235.1307
2-Amino-9,10-epoxy-8-oxodecanoic acid_1
2-Amino-9,10-epoxy-8-oxodecanoic acid
ME106741
443587
C12027
8.3
216.1229
2-Amino-9,10-epoxy-8-oxodecanoic acid_2
2-Amino-9,10-epoxy-8-oxodecanoic acid
ME106742
443587
C12027
8.61
216.1231
3-Buten-1-amine
3-Buten-1-amine
ME106792
443732
C12244
1.2
72.0816
Prekinamycin
-
ME107470
443804
C12393
13.23
319.0733
N2-Acetyl-L-aminoadipate
N-Acetyl-2-aminoadipic acid
ME107340
443992
C12986
4.06
204.085
TRANS-CINNAMATE
trans-Cinnamic acid
ME107550
444539
C00423
9.89
149.0598
trans-Cinnamate_1
trans-Cinnamic acid
ME107548
444539
C00423
6.42
149.0599
trans-Cinnamate_2
trans-Cinnamic acid
ME107549
444539
C00423
13.69
149.0598
Arachidonate
Arachidonic acid
ME106958
444899
C00219
16.12
305.2476
Fumarate
Fumaric acid
ME107157
444972
C00122
1.38
117.0175
4-Amino-1-piperidinecarboxylic acid
4-Amino-1-piperidinecarboxylic acid
ME106828
445262
C16837
1.76
145.0972
(4Z,7Z,10Z,13Z,16Z,19Z)-Docosahexaenoic acid
DHA
ME106668
445580
C06429
15.87
329.2475
(9Z)-Hexadecenoic acid_1
Palmitoleic acid
ME106676
445638
C08362
14.3
255.2319
(9Z)-Hexadecenoic acid_2
Palmitoleic acid
ME106677
445638
C08362
16.16
255.2319
(9Z)-Hexadecenoic acid_3
Palmitoleic acid
ME106678
445638
C08362
13.32
255.2319
(9Z)-Octadecenoic acid
Oleic acid
ME106679
445639
C00712
14.52
283.2632
Tropinone
Tropinone
ME107556
446337
C00783
7.02
140.1071
(S)-ATPA_1
(S)-ATPA
ME106692
447407
C13733
1.61
229.1183
(S)-ATPA_2
(S)-ATPA
ME106693
447407
C13733
7.64
229.1185
N-Acetylmethionine
N-Acetylmethionine
ME107360
448580
C02712
1.74
192.0688
Zeatin
trans-Zeatin
ME107578
449093
C00371
6.75
220.1172
Calcium salicylate
-
ME107000
517068
C19600
1.3
315.0188
Oxidized Latia luciferin
4-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-2-butanone
ME107431
519382
C03527
14.47
195.1745
N-Formyl-4-amino-5-aminomethyl-2-methylpyrimidine
-
ME107383
597195
C19872
1.81
167.0928
Cinnamaldehyde
Cinnamaldehyde
ME107020
637511
C00903
11.39
133.065
Ethyl cinnamate
Ethyl cinnamate
ME107136
637758
C06359
9.42
177.091
Nona-2,6-dienal
-
ME107410
643731
C08499
11.27
139.1119
cis-Aconitate
cis-Aconitic acid
ME107029
643757
C00417
2.05
175.024
Buprenorphine
Buprenorphine
ME106996
644073
C08007
12.64
468.3089
Saccharin sodium anhydrous_1
-
ME107490
656582
C12284
1.3
205.9873
Saccharin sodium anhydrous_2
-
ME107491
656582
C12284
2.33
205.9872
Transfluthrin
Transfluthrin
ME107551
656612
C13410
1.24
371.0199
cis-2-Carboxycyclohexyl-acetic acid_1
cis-2-Carboxycyclohexyl-acetic acid
ME107027
656884
C14112
8.14
187.0966
cis-2-Carboxycyclohexyl-acetic acid_2
cis-2-Carboxycyclohexyl-acetic acid
ME107028
656884
C14112
8.55
187.0966
N-Acetyl-L-citrulline
N-Acetylcitrulline
ME107353
656979
C15532
4.92
218.1136
(-)-Sympatol_1
D-Synephrine
ME106657
854067
C01869
8.85
168.102
(-)-Sympatol_2
D-Synephrine
ME106658
854067
C01869
7.29
168.102
Coniferyl alcohol_1
Coniferyl alcohol
ME107034
1549095
C00590
11.15
181.086
Coniferyl alcohol_2
Coniferyl alcohol
ME107035
1549095
C00590
9.12
181.0861
Urocanate_1
Urocanic acid
ME107569
1549103
C00785
3.17
139.0504
Urocanate_2
Urocanic acid
ME107570
1549103
C00785
1.72
139.0505
Ureidoacrylate
Ureidoacrylic acid
ME107566
1751484
C20254
1.58
131.0454
3-(Dimethylamino)propyl benzoate_1
3-(Dimethylamino)propyl benzoate
ME106774
2249229
C14168
7.22
208.1333
3-(Dimethylamino)propyl benzoate_2
3-(Dimethylamino)propyl benzoate
ME106775
2249229
C14168
8.18
208.1333
3-(Dimethylamino)propyl benzoate_3
3-(Dimethylamino)propyl benzoate
ME106776
2249229
C14168
8.64
208.1333
2,3-Dimethylmaleate_1
Dimethyl maleate
ME106730
3032309
C00922
0.79
145.0496
2,3-Dimethylmaleate_2
Dimethyl maleate
ME106731
3032309
C00922
1.9
145.0496
Chloromethiuron
-
ME107016
3034465
C19026
2.32
229.055
Glycodeoxycholate_1
Glycodeoxycholic acid
ME107176
3035026
C05464
11.46
450.3217
Glycodeoxycholate_2
Glycodeoxycholic acid
ME107177
3035026
C05464
10.72
450.3223
CMN 131
-
ME107032
3035162
C15663
1.38
95.0168
2-Hydroxymethylclavam_1
-
ME106761
3050259
C17357
0.79
144.0657
2-Hydroxymethylclavam_2
-
ME106762
3050259
C17357
5.15
144.0656
Pulcherriminic acid
Pulcherriminic acid
ME107477
3083664
C20515
0.86
257.1471
p-Cumate
4-Isopropylbenzoic acid
ME107441
3417835
C06578
16.57
165.0912
Sulfacetamide sodium anhydrous
-
ME107524
4022878
C08051
1.3
119.0181
Ornaline
Nopalinic acid
ME107427
4474580
C01683
10
263.1262
1'-Acetoxyeugenol acetate
1'-Acetoxyeugenol acetate
ME106711
4484222
C10427
12.03
265.1046
N-(6-Aminohexanoyl)-6-aminohexanoate
-
ME107332
5245705
C01255
8.2
245.186
Propyl cinnamate
Propyl cinnamate
ME107474
5270647
C06360
9.95
191.1069
Sphingosine_1
Sphingosine
ME107506
5280335
C00319
15.23
300.2897
Sphingosine_2
Sphingosine
ME107507
5280335
C00319
14.09
300.2898
Bilirubin
Bilirubin
ME106985
5280352
C00486
11.98
585.2708
Bergaptol_1
Bergaptol
ME106976
5280371
C00758
1.18
203.0348
Bergaptol_2
Bergaptol
ME106977
5280371
C00758
10.95
203.034
4-Maleylacetoacetate
Maleylacetoacetic acid
ME106853
5280393
C01036
2.45
101.0239
Linoleate_1
Linoleic acid
ME107269
5280450
C01595
16.37
281.2476
Linoleate_2
Linoleic acid
ME107270
5280450
C01595
13.07
281.2476
Linoleate_3
Linoleic acid
ME107271
5280450
C01595
13.79
281.2476
Maleamate
Maleamate
ME107301
5280451
C01596
1.1
116.0347
Calcitriol
1alpha,25-Dihydroxyvitamin D3
ME106999
5280453
C01673
15.83
417.336
(6S,9R)-Vomifoliol
(6S,9R)-Vomifoliol
ME106672
5280462
C01760
13.61
225.1486
Sinapyl alcohol
Sinapyl alcohol
ME107503
5280507
C02325
10.9
211.0966
(8Z,11Z,14Z)-Icosatrienoic acid
Dihomo-gamma-linolenic acid
ME106675
5280581
C03242
16.71
307.2632
2-Aminomuconate semialdehyde
-
ME106744
5280625
C03824
3.14
142.05
1-Oleoylglycerophosphocholine
LPC 18:1/0:0
ME106721
5280634
C03916
13.21
523.3593
Abscisate_1
Abscisic acid
ME106922
5280896
C06082
11.18
265.1433
Abscisate_2
Abscisic acid
ME106923
5280896
C06082
10.78
265.1412
(6Z,9Z,12Z)-Octadecatrienoic acid_1
gamma-Linolenic acid
ME106673
5280933
C06426
15.59
279.2319
(6Z,9Z,12Z)-Octadecatrienoic acid_2
gamma-Linolenic acid
ME106674
5280933
C06426
14.71
279.232
alpha,beta-Didehydrotryptophan
alpha,beta-Didehydrotryptophan
ME106935
5280990
C06732
4.06
203.0816
(9Z,12Z)-(8R)-Hydroxyoctadeca-9,12-dienoic acid_1
8R-HODE
ME106680
5281117
C08318
14.71
297.2425
(9Z,12Z)-(8R)-Hydroxyoctadeca-9,12-dienoic acid_2
8R-HODE
ME106681
5281117
C08318
15.41
297.2425
Cucurbic acid_1
Cucurbic acid
ME107046
5281159
C08482
12.6
213.1488
Cucurbic acid_2
Cucurbic acid
ME107047
5281159
C08482
11.91
213.1487
Cucurbic acid_3
Cucurbic acid
ME107048
5281159
C08482
11.05
213.1487
14-Dihydroxycornestin
Cornexistin
ME106708
5281160
C08483
11.94
309.1308
Ethyl tiglate
Ethyl tiglate
ME107137
5281163
C08487
8.11
129.0913
(-)-Jasmonic acid
Jasmonic acid
ME106650
5281166
C08491
12.75
211.133
Buddledin A_1
Buddledin A
ME106993
5281514
C09623
12.24
277.1798
Buddledin A_2
Buddledin A
ME106994
5281514
C09623
14.65
277.1799
Buddledin A_3
Buddledin A
ME106995
5281514
C09623
14.32
277.1799
alpha-Sinensal_1
Sinensal
ME106941
5281534
C09729
14.43
219.1745
alpha-Sinensal_2
Sinensal
ME106942
5281534
C09729
15.92
219.1746
alpha-Sinensal_3
Sinensal
ME106943
5281534
C09729
12.92
219.1745
alpha-Sinensal_4
Sinensal
ME106944
5281534
C09729
13.96
219.1745
Allamandin
Allamandin
ME106932
5281540
C09766
3.85
309.0993
3-Butylidene-7-hydroxyphthalide
Phthalide
ME106793
5281559
C09921
14.84
205.0861
Euxanthone
Euxanthone
ME107141
5281631
C10061
1.32
115.0289
Otonecine_1
Otonecine
ME107428
5281740
C10356
1.7
186.1126
Otonecine_2
Otonecine
ME107429
5281740
C10356
3.87
186.1126
Carpacin
Carpacin
ME107008
5281763
C10435
10.9
193.0862
Prenyl caffeate
-
ME107472
5281790
C10487
10.07
249.1098
Feruloylputrescine
Subaphylline
ME107149
5281796
C10497
8.17
265.1547
1-Hydroxy-2-methyl-2-butenyl 4-diphosphate
-
ME106716
5281976
C11811
0.77
263.0076
Cerulenin
Cerulenin
ME107015
5282054
C12058
6.41
224.1282
11-Methoxy-vinorine
-
ME106707
5282058
C12073
15.92
365.1886
Methyl acetyl ricinoleate
-
ME107315
5282107
C12280
15.41
355.2847
2,5-Dichloro-4-oxohex-2-enedioate
2,5-Dichloro-4-oxohex-2-enedioate
ME106733
5282172
C12835
0.7
226.9516
ZAPA
ZAPA
ME107577
5282249
C13695
0.93
147.0224
Traumatic acid
Traumatic acid
ME107552
5283028
C16308
10.61
229.1435
Oleoylethanolamide
Oleoyl-EA
ME107421
5283454
C20792
15.41
326.3055
Sphingosine 1-phosphate
Sphingosine 1-phosphate
ME107508
5283560
C06124
12.52
380.2565
Trp-P-1
-
ME107557
5284474
C19306
9.21
212.1182
Levetiracetam_1
Levetiracetam
ME107256
5284583
C07841
6.8
171.1128
Levetiracetam_2
Levetiracetam
ME107257
5284583
C07841
6.39
171.1128
Levetiracetam_3
Levetiracetam
ME107258
5284583
C07841
7.14
171.1128
Levetiracetam_4
Levetiracetam
ME107259
5284583
C07841
3.78
171.1129
Morphine
Morphine
ME107328
5288826
C01516
12.67
286.1437
Glycidyl oleate
-
ME107172
5354568
C19426
16.34
339.2895
Nitrofurazone_1
Nitrofurazone
ME107395
5447130
C08042
3.43
199.0463
Nitrofurazone_2
Nitrofurazone
ME107396
5447130
C08042
4.27
199.0463
3-Oxalomalate
3-Oxalomalic acid
ME106811
5459790
C01990
11.7
207.0144
Hercynine
Hercynine
ME107189
5459798
C05575
10.56
199.1329
Cycasin_1
Cycasin
ME107052
5459896
C01418
8.99
253.1047
Cycasin_2
Cycasin
ME107053
5459896
C01418
8.08
253.1046
(R)-3-((R)-3-Hydroxybutanoyloxy)butanoate
-
ME106687
5459971
C04546
7.75
191.0895
D-Xylonate
Xylonic acid
ME107124
5460056
C00502
6.56
167.0564
2-Furoate_1
2-Furoic acid
ME106752
5460151
C01546
0.83
113.0238
2-Furoate_2
2-Furoic acid
ME106753
5460151
C01546
4.26
113.0238
L-2,3-Dihydrodipicolinate
-
ME107237
5460228
C03340
6.73
170.0449
D-Alanyl-D-alanine_1
D-Alanyl-D-Alanine
ME107070
5460362
C00993
3.68
161.0921
D-Alanyl-D-alanine_2
D-Alanyl-D-Alanine
ME107071
5460362
C00993
6.55
161.0921
Coenzyme B
Coenzyme B
ME107033
5462265
C04628
8.96
172.5495
Lycodine
Lycodine
ME107299
5462443
C09876
0.9
243.1832
N-Cyclopropylammeline
-
ME107376
6321196
C14148
12.08
168.0888
Batrachotoxin
Batrachotoxin
ME106969
6324647
C13750
13.21
539.3138
(3S,5S)-Carbapenam-3-carboxylic acid
(3S,5S)-Carbapenam-3-carboxylic acid
ME106667
6337945
C17367
3.4
156.0656
Isovalerylcarnitine
CAR 4:0;3Me
ME107233
6426851
C20826
8.31
246.1699
Cilastatin
Cilastatin
ME107019
6435415
C01675
16.12
359.1669
Myxalamid A
-
ME107330
6440913
C12158
11.42
416.3165
Bombykal
-
ME106988
6444828
C20128
16.13
237.2214
GW 1929
-
ME107187
6518171
C15626
12.13
248.6145
6-endo-Hydroxycineole_1
6-endo-Hydroxycineole
ME106906
6857383
C03092
12.49
171.1381
6-endo-Hydroxycineole_2
6-endo-Hydroxycineole
ME106907
6857383
C03092
12.07
171.1381
3-(2-Hydroxyphenyl)propanoate_1
3-(2-Hydroxyphenyl)propanoic acid
ME106772
6930705
C01198
13.52
167.0704
3-(2-Hydroxyphenyl)propanoate_2
3-(2-Hydroxyphenyl)propanoic acid
ME106773
6930705
C01198
5.33
167.0705
4-Methylene-L-glutamate
-
ME106855
6971046
C00651
1.89
160.0605
4-Acetamidobutanoate_1
4-Acetamidobutanoic acid
ME106822
6991994
C02946
2.44
146.0813
4-Acetamidobutanoate_2
4-Acetamidobutanoic acid
ME106823
6991994
C02946
4.91
146.0813
4-Acetamidobutanoate_3
4-Acetamidobutanoic acid
ME106824
6991994
C02946
6.9
146.0813
4-Acetamidobutanoate_4
4-Acetamidobutanoic acid
ME106825
6991994
C02946
1.63
146.0813
3-(Methylthio)propanoate
3-Methyl-thiopropionic acid
ME106779
6992044
C08276
1.23
121.0319
N-Formylmethionine
N-Formylmethionine
ME107385
6995182
C03145
1.18
178.0533
4-Amino-2-hydroxylamino-6-nitrotoluene
-
ME106829
9543061
C16403
1.07
184.0718
cis-2,3-Dihydroxy-2,3-dihydro-p-cumate
-
ME107026
9543088
C06579
7.68
199.0966
3-Sulfocatechol
3-Sulfocatechol
ME106817
9543247
C06336
1.79
191.0002
3-Fluoro-cis,cis-muconate
-
ME106797
9543395
C16474
2.17
161.0243
N-Methyl-N'-nitro-N-nitrosoguanidine
N-Methyl-N'-nitro-N-nitrosoguanidine
ME107403
9562060
C14592
3.63
148.0477
S-Allyl-L-cysteine_1
S-Allylcysteine
ME107492
9793905
C16759
3.09
162.0583
S-Allyl-L-cysteine_2
S-Allylcysteine
ME107493
9793905
C16759
1.02
162.058
S-Allyl-L-cysteine_3
S-Allylcysteine
ME107494
9793905
C16759
3.45
162.0583
S-Allyl-L-cysteine_4
S-Allylcysteine
ME107495
9793905
C16759
6.69
162.0584
S-Allyl-L-cysteine_5
S-Allylcysteine
ME107496
9793905
C16759
2.48
162.0583
(4Z,7Z,10Z,13Z,16Z,19Z)-Docosahexaenoic acid ethyl...
-
ME106669
9831416
C16185
12.48
357.2788
(4Z,7Z,10Z,13Z,16Z,19Z)-Docosahexaenoic acid ethyl...
-
ME106670
9831416
C16185
12.02
357.2789
(4Z,7Z,10Z,13Z,16Z,19Z)-Docosahexaenoic acid ethyl...
-
ME106671
9831416
C16185
11.58
357.2789
3-Mercaptolactate
-
ME106801
9833951
C05823
1.06
123.0115
9,12,13-TriHOME_1
9,12,13-TriHOME
ME106917
9858729
C14833
11.19
331.2479
9,12,13-TriHOME_2
9,12,13-TriHOME
ME106918
9858729
C14833
11.77
331.2479
Terpendole E
-
ME107533
10094631
C20536
13.79
438.2984
Terpendole G
-
ME107534
10411534
C20586
12.81
452.2778
Callytriol C
-
ME107001
10593857
C17005
7.62
349.1832
(10S)-Juvenile hormone III diol
-
ME106665
10859043
C16505
12.01
285.206
Burseran
Burseran
ME106997
11101102
C10547
12.18
387.1807
1,4'-Bipiperidine-1'-carboxylic acid_1
-
ME106701
11367848
C16836
11.51
213.1598
1,4'-Bipiperidine-1'-carboxylic acid_2
-
ME106702
11367848
C16836
11.16
213.1598
1,4'-Bipiperidine-1'-carboxylic acid_3
-
ME106703
11367848
C16836
8.88
213.1598
Gymnodimine
Gymnodimine
ME107188
11649137
C20025
13.35
508.3406
Rehmaionoside C
-
ME107486
11740990
C17452
11.56
389.2172
4-Fluorocyclohexadiene-cis,cis-1,2-diol
-
ME106838
11829464
C16483
6.42
131.0493
L-Octanoylcarnitine
CAR 8:0
ME107280
11953814
C02838
10.66
288.217
O-Decanoyl-L-carnitine
CAR 10:0
ME107420
11953821
C03299
11.98
316.2481
5-Oxoavermectin ''1a'' aglycone
-
ME106899
11953988
C11978
13.54
583.324
3beta-Chloro-N,N-bis(2-chloroethyl)-androst-5-en-1...
-
ME106791
11954081
C14914
9.8
432.2026
17beta-Methylestra-1,3,5(10)-trien-3-ol
17beta-Methylestra-1,3,5(10)-trien-3-ol
ME106709
11954100
C15020
10.69
271.2057
3-[(3aS,4S,7aS)-7a-Methyl-1,5-dioxo-octahydro-1H-i...
-
ME106787
15944652
C20199
13.26
239.1278
3-[(3aS,4S,7aS)-7a-Methyl-1,5-dioxo-octahydro-1H-i...
-
ME106788
15944652
C20199
11.15
239.1278
N-Phosphohypotaurocyamine
N(omega)-Phosphohypotaurocyamine
ME107412
16019959
C03624
1.95
232.0129
Coumarin_1
Coumarin
ME107039
18327169
C05851
3.62
147.0442
Coumarin_2
Coumarin
ME107040
18327169
C05851
7.79
147.0442
2-Aminomuconate
2-Aminomuconic acid
ME106743
20849110
C02220
1.18
158.0449
2,5-Dioxopentanoate
-
ME106734
21872870
C00433
1.66
131.0342
Diisopropyl phosphate
-
ME107102
21884945
C03113
7.59
183.0777
N-Hydroxy-L-valine
N-Hydroxy-valine
ME107387
22859863
C20313
1.59
134.0814
Tolmetin sodium
-
ME107541
23665411
C02328
0.81
280.092
Sodium ortho-phenylphenate
-
ME107504
23675735
C19298
8.08
193.0632
(10S)-Juvenile hormone III acid diol
-
ME106664
23724772
C16506
11.22
271.1905
(S)-2,3,4,5-Tetrahydropyridine-2-carboxylate_1
(S)-1-Piperideine-6-carboxylic acid
ME106688
24771808
C00450
2.12
128.0709
(S)-2,3,4,5-Tetrahydropyridine-2-carboxylate_2
(S)-1-Piperideine-6-carboxylic acid
ME106689
24771808
C00450
1.14
128.0709
(S)-2,3,4,5-Tetrahydropyridine-2-carboxylate_3
(S)-1-Piperideine-6-carboxylic acid
ME106690
24771808
C00450
1.64
128.0709
(S)-2,3,4,5-Tetrahydropyridine-2-carboxylate_4
(S)-1-Piperideine-6-carboxylic acid
ME106691
24771808
C00450
6.81
128.0708
5beta-Scymnol sulfate
-
ME106885
24820757
C16261
13.83
549.3145
4-Guanidinobutanal
4-Guanidinobutanal
ME106840
25200663
C02647
1.73
130.0978
5-Guanidino-3-methyl-2-oxopentanoate
-
ME106887
46173323
C20234
0.97
188.1031
p-Benzosemiquinone
-
ME107440
46173720
C02389
2.14
110.0354
8-Hydroxyalanylclavam
-
ME106916
46173889
C17359
1.03
217.082
Istamycin C1
-
ME107234
46174030
C17996
7.94
432.2805
2,3-Dihydroxybenzoate
2-Pyrocatechuic acid
ME106729
54675818
C00196
2.64
155.0348
2-Hydroxy-2,4-pentadienoate_1
2-Hydroxypenta-2,4-dienoic acid
ME106755
54675827
C00596
0.84
115.0394
2-Hydroxy-2,4-pentadienoate_2
2-Hydroxypenta-2,4-dienoic acid
ME106756
54675827
C00596
4.99
115.0394
Meloxicam
Meloxicam
ME107308
54677470
C08169
12.33
352.042
Warfarin
Warfarin
ME107572
54678486
C01541
9.34
155.0598
Digallate
Digallic acid
ME107098
54711004
C01572
9.49
323.0369
3,4-Dihydroxyphthalate
3,4-Dihydroxyphthalic acid
ME106785
54723877
C03223
0.88
199.0253
2,4-Bis(acetamido)-2,4,6-trideoxy-beta-L-altropyra...
-
ME106732
56927717
C19972
6.08
247.1288
2'-Dehydrokanamycin A
-
ME106747
71296164
C20509
12.87
242.117
O-Ureido-L-serine
O-Ureido-serine
ME107430
71464513
C20639
9.34
164.0652
21,22-Diprenylpaxilline_1
-
ME106737
71745339
C20561
13.84
572.3716
21,22-Diprenylpaxilline_2
-
ME106738
71745339
C20561
13.41
572.3718
Phosphoagmatine
-
ME107455
72734288
C02726
7.58
211.094
Penitrem D_1
-
ME107443
76308902
C20596
13.2
568.3398
Penitrem D_2
-
ME107444
76308902
C20596
12.46
568.3402
N5-Phenyl-L-glutamine_1
-
ME107341
86289563
C20843
7.58
223.1078
N5-Phenyl-L-glutamine_2
-
ME107342
86289563
C20843
6.32
223.1076
2-Ethylhexyl phthalate_1
Monoethylhexyl phthalic acid
ME106749
-
C03343
14.84
279.1591
2-Ethylhexyl phthalate_2
Monoethylhexyl phthalic acid
ME106750
-
C03343
13.66
279.1591
2-Ethylhexyl phthalate_3
Monoethylhexyl phthalic acid
ME106751
-
C03343
16.86
279.1591
(+/-)-5-[(tert-Butylamino)-2'-hydroxypropoxy]-1,2,...
-
ME106663
-
C04875
14.32
294.2065
C20913
-
ME106998
-
C20913
8.55
235.0941
(E)-4-(Trimethylammonio)but-2-enoate_1
(E)-4-(Trimethylammonio)but-2-enoate
ME106682
-
C04114
1.12
144.102
(E)-4-(Trimethylammonio)but-2-enoate_2
(E)-4-(Trimethylammonio)but-2-enoate
ME106683
-
C04114
6.8
144.102
(E)-4-(Trimethylammonio)but-2-enoate_3
(E)-4-(Trimethylammonio)but-2-enoate
ME106684
-
C04114
6.39
144.102
(E)-4-(Trimethylammonio)but-2-enoate_4
(E)-4-(Trimethylammonio)but-2-enoate
ME106685
-
C04114
7.12
144.102
(E)-4-(Trimethylammonio)but-2-enoate_5
(E)-4-(Trimethylammonio)but-2-enoate
ME106686
-
C04114
3.94
144.102
Monodehydroascorbate
-
ME107326
-
C01041
1.31
176.0299
Tabtoxinine-beta-lactam_1
-
ME107526
-
C20918
2.28
189.087
Tabtoxinine-beta-lactam_2
-
ME107527
-
C20918
1.42
189.0871
Tabtoxinine-beta-lactam_3
-
ME107528
-
C20918
3.13
189.087
Tolylacetonitrile_1
-
ME107545
-
C02596
7.75
132.0809
Tolylacetonitrile_2
-
ME107546
-
C02596
7.75
132.0795
Analysis: ESI Negative mode
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
4-METHYL-2-OXO-PENTANOIC ACID
Ketoleucine
ME107588
70
C00233
7.12
129.0545
3-UREIDOPROPIONATE
Ureidopropionic acid
ME107585
111
C02642
1.55
131.045
4-HYDROXYBENZALDEHYDE_1
4-Hydroxybenzaldehyde
ME107586
126
C00633
8.06
121.0282
4-HYDROXYBENZALDEHYDE_2
4-Hydroxybenzaldehyde
ME107587
126
C00633
7.89
121.0282
ALLANTOIN
Allantoin
ME107593
204
C01551
0.87
157.0357
BENZOATE
Benzoic acid
ME107597
243
C00180
8.71
121.0282
L-CARNITINE
Carnitine
ME107618
288
-
1.02
196.0738
Pimelic Acid
Pimelic acid
ME107651
385
C02656
2.19
159.0652
METHYLMALONATE
Methylmalonic acid
ME107634
487
C02170
2.65
117.018
3,4-DIHYDROXYPHENYLACETATE
3,4-Dihydroxybenzeneacetic acid
ME107583
547
C01161
6.99
167.0339
CREATINE
Creatine
ME107604
586
C00300
0.98
130.0609
GLUTARATE
Glutaric acid
ME107610
743
C00489
5
131.0337
GUANINE
Guanine
ME107613
764
C00242
1.63
150.041
HYPOXANTHINE
Hypoxanthine
ME107615
790
C00262
2.15
135.0298
INDOLE-3-ACETATE
Indoleacetic acid
ME107616
802
C00954
9.28
174.0551
MALONATE
Malonic acid
ME107633
867
C00383
1.02
103.0023
3-(2-HYDROXYPHENYL)PROPANOATE
3-(2-Hydroxyphenyl)propanoic acid
ME107582
873
C01198
8.89
165.0548
CITRAMALATE_1
Citramalic acid
ME107601
1081
C00815
2.44
171.0264
CITRAMALATE_2
Citramalic acid
ME107602
1081
C00815
2.36
147.0287
TAURINE
Taurine
ME107655
1123
C00245
0.78
124.0061
URATE
Uric acid
ME107659
1175
C00366
1.96
167.0201
XANTHINE
Xanthine
ME107664
1188
C00385
2.66
151.025
ISOCITRIC ACID
Isocitric acid
ME107617
1198
C00311
1.25
215.0144
L-SERINE
Serine
ME107626
5951
C00065
0.76
104.0339
ASPARTATE
Aspartic acid
ME107596
5960
C00049
1.01
132.0291
L-GLUTAMINE
Glutamine
ME107622
5961
C00064
0.78
145.0607
URIDINE
Uridine
ME107660
6029
C00299
3.02
243.062
L-TYROSINE
Tyrosine
ME107627
6057
C00082
3.62
180.0657
LEUCINE
Leucine
ME107620
6106
C00123
2.72
130.0861
Phenylalanine
Phenylalanine
ME107650
6140
C00079
6.42
164.0707
ASPARAGINE
Asparagine
ME107595
6267
C00152
0.77
131.0449
L-HISTIDINE
Histidine
ME107623
6274
C00135
0.75
154.061
L-VALINE
Valine
ME107628
6287
C00183
1.22
116.0703
Tryptophan
Tryptophan
ME107657
6305
C00078
7.75
203.082
L-ISOLEUCINE
Isoleucine
ME107625
6306
C00407
2.51
130.0861
4-PYRIDOXATE
4-Pyridoxic acid
ME107589
6723
C00847
6.02
182.045
5-OXO-L-PROLINE_1
Pyroglutamic acid
ME107590
7405
C01879
1.95
128.0341
5-OXO-L-PROLINE_2
Pyroglutamic acid
ME107591
7405
C01879
1.99
130.0497
CITRULLINE
Citrulline
ME107603
9750
C00327
0.84
174.0875
GLYCOCHOLATE
Glycocholic acid
ME107612
10140
C01921
10.01
464.3022
2-Hydroxyhippuric acid
Salicyluric acid
ME107580
10253
C07588
7.4
194.0451
MEVALOLACTONE
Mevalolactone
ME107635
10428
-
2.35
147.0651
N-ACETYLGLYCINE
N-Acetylglycine
ME107640
10972
-
1.3
116.034
ETHYLMALONIC ACID
Ethylmalonic acid
ME107606
11756
-
6.29
131.0337
2-HYDROXYPHENYLACETIC ACID
2-Hydroxyphenylacetic acid
ME107581
11914
C01983
7.6
151.039
Mono-(2-Ethylhexyl) Phthalate
Monoethylhexyl phthalic acid
ME107636
20393
C03343
13.67
277.1444
Mono-(2-Ethylhexyl) Phthalate Dimer
Monoethylhexyl phthalic acid
ME107637
20393
C03343
13.63
540.3302
L-GLUTAMIC ACID
Glutamic acid
ME107621
33032
-
0.82
146.0447
N-ACETYL-L-ASPARTIC ACID_1
N-Acetylaspartic acid
ME107642
65065
C01042
1.86
174.0398
N-ACETYL-L-ASPARTIC ACID_2
N-Acetylaspartic acid
ME107643
65065
C01042
1.71
174.0398
N-ACETYL-L-ASPARTIC ACID_3
N-Acetylaspartic acid
ME107644
65065
C01042
1.53
176.0554
N-FORMYLGLYCINE
N-Formylglycine
ME107646
75606
-
1.14
102.0183
N-ACETYL-L-LEUCINE
N-Acetylleucine
ME107645
75619
C02997
7.81
172.097
N-ACETYL-L-ALANINE
N-Acetylalanine
ME107641
88064
-
2.37
130.0497
L-Cysteine-S-Sulfate
Cysteine-S-sulfate
ME107619
115015
C05824
0.83
199.9685
Sulfoacetaldehyde
Sulfoacetaldehyde
ME107654
160226
C00593
0.78
122.9744
S-CARBOXYMETHYL-L-CYSTEINE
S-Carboxymethyl-cysteine
ME107653
193653
C03727
0.91
180.0327
MALATE_1
Malic acid
ME107630
222656
C00149
1.3
133.013
MALATE_2
Malic acid
ME107631
222656
C00149
1.15
133.013
N-ACETYL-DL-SERINE
N-Acetylserine
ME107638
352294
-
1.17
146.0447
GLYCERIC ACID
Glyceric acid
ME107611
439194
C00258
0.9
105.0179
N-ACETYL-D-MANNOSAMINE
N-Acetyl-mannosamine
ME107639
439281
-
0.83
256.0594
N-METHYL-L-GLUTAMATE_1
N-Methyl-glutamic acid
ME107647
439377
C01046
1.01
160.0605
N-METHYL-L-GLUTAMATE_2
N-Methyl-glutamic acid
ME107648
439377
C01046
0.9
160.0604
MALEIC ACID
Maleic acid
ME107632
444266
C01384
2.46
117.018
Arachidonic Acid (20:4)
Arachidonic acid
ME107594
444899
C00219
16.12
303.2333
Docosahexaenoic Acid (22:6)
DHA
ME107605
445580
C06429
15.87
327.2328
3-SULFINO-L-ALANINE
3-Sulfino-alanine
ME107584
1549098
C00606
0.88
152.0011
UROCANATE
Urocanic acid
ME107661
1549103
-
2.13
137.0344
CAFFEATE
Caffeic acid
ME107599
1549111
C01481
7.59
181.0497
Vanilloylglycine
Vanilloylglycine
ME107663
3083688
-
7.74
224.0561
Catechol Sulfate
Catechol sulfate
ME107600
3083879
-
7.2
188.9854
P-Cresol Sulfate
p-Cresol sulfate
ME107649
4615423
-
8.74
187.0062
Linoleic Acid (18:2)
Linoleic acid
ME107624
5280450
C01595
16.38
279.2327
Ferulic acid sulfate
Ferulic acid 4-sulfate
ME107607
6305574
-
8.31
273.0076
LysoPE (18:1)
LPE 18:1
ME107629
9547071
-
13.63
480.3099
Xylenesulfonate
-
ME107665
22218081
-
8.29
185.027
Vanilloloside
Vanilloloside
ME107662
44577222
-
7.87
315.109
Salicylic Acid-D4
Salicylic acid
ME107652
46782907
-
10.14
141.0484
ALDOPENTOSE
Aldopentose
ME107592
-
-
0.85
149.0445
C6H12O6-HEXOSE/KETOSE/INOSITOL
Hexose
ME107598
-
-
0.82
179.0552
GLUCONIC ACID/D-GULONIC ACID GAMA-LACTONE
Gluconic acid/Gulonolactone
ME107608
-
-
0.82
195.0502
GLUCOSE/FRUCTOSE [M+Cl]-
Hexose
ME107609
-
C00293/C01496
0.79
215.0321
HEXOSE ALCOHOL
-
ME107614
-
-
0.83
181.0709
THREONINE/HOMOSERINE
Threonine/Homoserine
ME107656
-
-
0.8
118.0496
Tryptophan-2,3,3-D3
Tryptophan
ME107658
-
-
7.75
206.1007
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