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Return to study ST000335 main page
Analysis: UHPLC HESI POSITIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
Spermidine
Spermidine
ME117638
1102
C00315
0.76
146.1653
Putrescine
Putrescine
ME117622
1045
C00134
0.83
89.1080
L-Lysine
Lysine
ME117510
5962
C00047
0.85
147.1130
Sodium chlorate
-
ME117637
516902
C18765
0.89
106.9511
Catechol
Pyrocatechol
ME117397
289
C00090
0.92
111.0439
N-Cyclohexylformamide
N-Cyclohexylformamide
ME117550
13017
C11519
0.92
128.1073
Histamine
Histamine
ME117481
774
C00388
0.93
112.0874
O-Succinyl-L-homoserine
o-Succinylhomoserine
ME117578
439406
C01118
0.93
220.0816
Pentachloroethane
-
ME117590
6419
C19496
0.93
200.8595
Glycine_1
Glycine
ME117472
750
C00037
0.94
76.0401
L-Aspartate
Aspartic acid
ME117492
5960
C00049
0.94
134.0450
L-Histidine
Histidine
ME117503
6274
C00135
0.94
156.0770
N6-Methyl-L-lysine
N(6)-Methyllysine
ME117544
164795
C02728
0.94
161.1287
L-Arginine
Arginine
ME117490
6322
C00062
0.95
175.1192
Tromethamine
2-Amino-2-methylol-propane-1,3-diol
ME117659
6503
C07182
0.95
122.0816
4-Oxoproline_1
4-Oxo-proline
ME117338
107541
C01877
0.96
130.0502
7,8-Diaminononanoate
7,8-Diaminononanoic acid
ME117349
652
C01037
0.96
189.1599
Dibasic sodium phosphate
-
ME117434
24203
C13558
0.96
142.9483
L-Glutamine
Glutamine
ME117502
5961
C00064
0.96
147.0766
Orthophosphate
Phosphoric acid
ME117577
-
C00009
0.96
98.9848
Taurine
Taurine
ME117642
1123
C00245
0.96
126.0223
Diethanolamine
Diethanolamine
ME117437
8113
C06772
0.97
106.0868
L-Alanine
Alanine
ME117489
5950
C00041
0.97
90.0557
L-Threonine
Threonine
ME117520
6288
C00188
0.98
120.0659
1-Hydroxy-2-methyl-2-butenyl 4-diphosphate
-
ME117287
5281976
C11811
0.99
263.0084
2-Aceto-2-hydroxybutanoate
2-Acetolactate
ME117299
21
C00659
0.99
147.0653
Dihydro-4,4-dimethyl-2,3-furandione
2-Dehydropantolactone
ME117438
39
C01125
0.99
129.0546
L-Rhamnose
Rhamnose
ME117519
25310
C00507
0.99
165.0759
Mannitol
Mannitol
ME117530
6251
C00392
0.99
183.0866
Pyridoxamine_2
Pyridoxamine
ME117627
1052
C00534
0.99
169.0974
cis-1,2-Dihydronaphthalene-1,2-diol_1
(1R,2S)-1,2-Dihydronaphthalene-1,2-diol
ME117401
440294
C04314
10.03
163.0755
Diacetyl_2
Diacetyl
ME117432
650
C00741
10.03
87.0448
Ethyl (R)-3-hydroxyhexanoate
Ethyl (R)-3-hydroxyhexanoate
ME117452
440150
C03864
10.03
161.1174
Tos-Lys-CH2Cl
-
ME117650
73094
C00896
10.03
333.1041
3-[(3aS,4S,7aS)-7a-Methyl-1,5-dioxo-octahydro-1H-i...
-
ME117315
15944652
C20199
10.04
239.1277
Tussilagine
Tussilagine
ME117669
185071
C10411
10.04
200.1282
Tetralin
Tetralin
ME117644
8404
C14114
10.05
133.1014
Nona-2,6-dienal
-
ME117559
643731
C08499
10.07
139.1119
1,2,3-Trihydroxybenzene
1,2,3-Trihydroxybenzene
ME117278
1057
C01108
1.01
127.0392
3-Methyl-2-oxobutanoic acid_1
Ketoisovaleric acid
ME117321
49
C00141
1.01
117.0550
4-Hydroxy-2-butynal_1
4-Hydroxybut-2-ynal
ME117332
439778
C02648
1.01
85.0291
Phendimetrazine_1
Phendimetrazine
ME117593
30487
C07904
10.11
192.1384
N1-Methyl-2-pyridone-5-carboxamide
N1-Methyl-2-pyridone-5-carboxamide
ME117543
69698
C05842
10.16
153.0660
Furfuryl alcohol
2-Furanmethanol
ME117459
7361
C20441
1.02
99.0446
L-Glutamate
Glutamic acid
ME117501
33032
C00025
1.02
148.0606
Triethanolamine
Triethanolamine
ME117654
7618
C06771
1.02
150.1127
Undecanoic acid_2
Undecylic acid
ME117673
8180
C17715
10.26
187.1695
1-Aminocyclopropane-1-carboxylate
1-Aminocyclopropanecarboxylic acid
ME117286
535
C01234
1.03
102.0556
2,3-Dimethylmaleate
Dimethyl maleate
ME117296
5459894
C00922
1.03
145.0498
4-Methylene-L-glutamine
4-Methylene-glutamine
ME117337
439401
C01109
1.03
159.0766
Diacetyl_3
Diacetyl
ME117433
650
C00741
1.03
87.0448
L-Citrulline
Citrulline
ME117498
9750
C00327
1.03
176.1031
Lichenin
Lichenin
ME117504
439241
C00478
1.03
163.0602
Propanoate
Propionic acid
ME117619
1032
C00163
1.03
75.0449
3-Oxododecanoic acid_2
3-Oxododecanoic acid
ME117324
439717
C02367
10.31
215.1643
Isovalerylcarnitine_2
CAR 4:0;3Me
ME117488
6426851
C20826
10.35
246.1700
3-tert-Butyl-5-methylcatechol_1
3-tert-Butyl-5-methylcatechol
ME117326
66095
C03929
10.36
181.1223
Glycerol
Glycerol
ME117469
753
C00116
1.04
93.0552
L-Methionine S-oxide_2
Methionine sulfoxide
ME117514
158980
C02989
1.04
166.0534
Undecanoic acid_1
Undecylic acid
ME117672
8180
C17715
10.41
187.1694
N-Heptanoylhomoserine lactone
N-Heptanoyl-homoserine lactone
ME117552
443437
C11844
10.47
214.1438
Deoxyribose
Deoxyribose
ME117428
5460005
C01801
1.05
135.0652
(6S,9R)-Vomifoliol
(6S,9R)-Vomifoliol
ME117274
5280462
C01760
10.50
225.1486
2-Methylisoborneol
2-Methylisoborneol
ME117307
16913
C20243
10.52
169.1589
(-)-Limonene_1
Limonene
ME117259
439250
C00521
10.54
137.1326
1-Pyrroline-2-carboxylate_2
1-Pyrroline-2-carboxylic acid
ME117293
440046
C03564
1.06
114.0554
9,10-Phenanthroquinone_1
9,10-Phenanthroquinone
ME117351
6763
C03243
1.06
209.0602
Allantoin
Allantoin
ME117356
204
C01551
1.07
159.0513
Cyclohexane-1,3-dione_1
Cyclohexane-1,3-dione
ME117414
10434
C01066
10.71
113.0601
6-endo-Hydroxycineole_2
6-endo-Hydroxycineole
ME117346
6857383
C03092
10.74
171.1381
Buddledin A_2
Buddledin A
ME117388
5281514
C09623
10.74
277.1796
4-Aminobutanoate
gamma-Aminobutyric acid
ME117330
119
C00334
1.08
104.0713
Botrydial
Botrydial
ME117385
185781
C09622
10.80
311.1852
p-Cymene_1
p-Cymene
ME117586
7463
C06575
10.81
135.1170
2-Hydroxymethylclavam
-
ME117305
3050259
C17357
1.09
144.0656
Dodecanoic acid
Lauric acid
ME117447
3893
C02679
10.98
201.1850
Geosmin
Geosmin
ME117464
29746
C16286
11.01
183.1745
1-Octanal_1
Caprylaldehyde
ME117288
454
C01545
11.05
129.1277
9,10-Phenanthroquinone_2
9,10-Phenanthroquinone
ME117352
6763
C03243
11.05
209.0600
1,3,8-Naphthalenertriol
Naphthalene-1,3,8-triol
ME117281
439428
C01173
11.06
177.0547
6-endo-Hydroxycineole_1
6-endo-Hydroxycineole
ME117345
6857383
C03092
11.06
171.1381
Apiole
Apiole
ME117369
10659
C10429
11.06
223.0965
N-Formyl-4-amino-5-aminomethyl-2-methylpyrimidine
-
ME117551
597195
C19872
11.12
167.0926
Dodecanamide
Dodecanamide
ME117446
14256
C13831
11.21
200.2010
12-Hydroxydodecanoic acid
12-Hydroxy lauric acid
ME117285
79034
C08317
11.24
217.1799
Cryptopleurine
-
ME117412
92765
C10586
11.24
189.6067
(-)-Menthyl acetate_2
Menthyl acetate
ME117263
27867
C09870
11.24
199.1696
Methyleugenol
Methyleugenol
ME117537
7127
C10454
11.24
179.1068
Phytuberin
Phytuberin
ME117606
442387
C09709
11.25
295.1905
Thymyl acetate_2
Thymol acetate
ME117648
68252
C09909
11.25
193.1228
L-Proline
Proline
ME117518
145742
C00148
1.13
116.0711
Latia luciferin_4
Latia luciferin
ME117496
5280505
C02293
11.34
237.1850
(+)-Bornane-2,5-dione_1
Bornane-2,5-dione
ME117265
20218
C03037
11.45
167.1068
Tecostanine
Tecostanine
ME117643
120773
C09989
11.45
184.1699
gamma-Undecalactone
gamma-Undecalactone
ME117462
7714
C08571
11.50
185.1537
Latia luciferin_1
Latia luciferin
ME117493
5280505
C02293
11.57
237.1850
(S)-2-Hydroxypropylphosphonate
-
ME117277
25244355
C06452
1.16
141.0311
Oxandrolone
Oxandrolone
ME117583
5878
C07346
11.60
307.2262
Butopyronoxyl_1
-
ME117390
10760
C19142
11.62
227.1278
Geranyl formate_3
-
ME117467
5282109
C12294
11.62
183.1382
Phenylacetylglutamine
alpha-N-Phenylacetylglutamine
ME117599
92258
C04148
11.62
265.1182
Xanthan
-
ME117683
7107
C01464
11.68
183.0807
Thymyl acetate_1
Thymol acetate
ME117647
68252
C09909
11.69
193.1226
alpha-D-Galactosyl-N-acetyllactosamine
Galactosyl-N-acetyllactosamine
ME117360
440339
C04428
1.17
546.2036
cis-1,2-Dihydronaphthalene-1,2-diol_3
(1R,2S)-1,2-Dihydronaphthalene-1,2-diol
ME117403
440294
C04314
11.71
163.0755
Allopumiliotoxin 267A_1
-
ME117357
5470308
C20034
11.72
268.2271
L-Octanoylcarnitine_2
CAR 8:0
ME117516
11953814
C02838
11.72
288.2170
Creatine
Creatine
ME117409
586
C00300
1.18
132.0770
Tributyl phosphate
Tributyl phosphate
ME117653
31357
C14439
11.80
267.1719
L-Octanoylcarnitine_1
CAR 8:0
ME117515
11953814
C02838
11.83
288.2170
Precocene II_2
Precocene II
ME117618
12565
C09018
11.83
221.1172
3-(2-Hydroxyphenyl)propanoate_2
3-(2-Hydroxyphenyl)propanoic acid
ME117309
6930705
C01198
11.86
167.0704
Latia luciferin_3
Latia luciferin
ME117495
5280505
C02293
11.86
237.1850
Zingerone
Zingerone
ME117685
31211
C17497
11.86
195.1018
3-Oxododecanoic acid_1
3-Oxododecanoic acid
ME117323
439717
C02367
11.89
215.1643
(E)-4-(Trimethylammonio)but-2-enoate_2
(E)-4-(Trimethylammonio)but-2-enoate
ME117276
5462194
C04114
11.91
144.1021
O-Decanoyl-L-carnitine_2
CAR 10:0
ME117575
11953821
C03299
11.91
316.2483
trans-Cinnamate_2
trans-Cinnamic acid
ME117652
444539
C00423
11.93
149.0599
p-Cymene_4
p-Cymene
ME117589
7463
C06575
11.96
135.1170
Tris(butoxyethyl)phosphate_1
-
ME117656
6540
C14446
12.00
399.2507
4-Aminobiphenyl
4-Aminobiphenyl
ME117329
7102
C10998
12.04
170.0966
Allopumiliotoxin 267A_2
-
ME117358
5470308
C20034
12.04
268.2271
Creatinine
Creatinine
ME117410
588
C00791
1.21
114.0666
Abietate
Abietic acid
ME117353
10569
C06087
12.19
303.2318
Trimethylamine N-oxide
Trimethylamine N-oxide
ME117655
1145
C01104
1.22
76.0765
Latia luciferin_2
Latia luciferin
ME117494
5280505
C02293
12.22
237.1850
S 1033
-
ME117633
-
C15450
12.29
361.2349
Oblongolide_2
Oblongolide
ME117568
176630
C09519
12.30
221.1536
alpha-Irone_3
alpha-Irone
ME117364
5371002
C09690
12.39
207.1745
L-Carnitine
Carnitine
ME117497
288
C00318
1.24
162.1126
(+/-)-5-[(tert-Butylamino)-2'-hydroxypropoxy]-1,2,...
-
ME117271
-
C04875
12.48
294.2062
Precocene II_1
Precocene II
ME117617
12565
C09018
12.48
221.1173
L-Valine_1
Valine
ME117526
6287
C00183
1.25
118.0867
alpha-Irone_2
alpha-Irone
ME117363
5371002
C09690
12.51
207.1745
Bakkenolide A
Bakkenolide A
ME117376
442173
C09350
12.51
235.1693
Pentalenene
Pentalenene
ME117591
194140
C01841
12.56
205.1953
alpha-Sinensal
Sinensal
ME117365
5281534
C09729
12.58
219.1744
Methyl farnesoate
-
ME117536
5275508
C16503
12.61
251.2006
Oxidized Latia luciferin
4-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-2-butanone
ME117584
519382
C03527
12.66
195.1745
N-Acetylornithine
N-Acetylornithine
ME117547
439232
C00437
1.27
175.1079
alpha-Amylcinnamaldehyde
-
ME117359
31209
C12288
12.71
203.1432
Phenylacetaldehyde_2
Phenylacetaldehyde
ME117598
998
C00601
12.74
121.0652
Butopyronoxyl_2
-
ME117391
10760
C19142
12.75
227.1277
Buddledin A_1
Buddledin A
ME117387
5281514
C09623
12.78
277.1798
alpha-Irone_1
alpha-Irone
ME117362
5371002
C09690
12.82
207.1746
cis-1,2-Dihydronaphthalene-1,2-diol_2
(1R,2S)-1,2-Dihydronaphthalene-1,2-diol
ME117402
440294
C04314
12.83
163.0755
O-Decanoyl-L-carnitine_1
CAR 10:0
ME117574
11953821
C03299
12.84
316.2483
Montanin A
Montanin A
ME117540
442061
C09136
12.93
313.1434
2-Ethylhexyl phthalate_1
Monoethylhexyl phthalic acid
ME117301
-
C03343
12.94
279.1591
3-Butylidene-7-hydroxyphthalide
Phthalide
ME117317
5281559
C09921
12.95
205.0861
Capsi-amide_2
Capsiamide
ME117394
47346
C17515
12.96
270.2793
N-Phenyl-1-naphthylamine_1
-
ME117562
7013
C14405
13.03
220.1122
1-Octanal_2
Caprylaldehyde
ME117289
454
C01545
13.30
129.1277
(-)-Menthyl acetate_1
Menthyl acetate
ME117262
27867
C09870
13.30
199.1694
Civetol
-
ME117407
5364514
C17815
13.32
253.2527
(E)-4-(Trimethylammonio)but-2-enoate_1
(E)-4-(Trimethylammonio)but-2-enoate
ME117275
5462194
C04114
1.34
144.1021
(2E,6E)-Farnesol
2E,6E-Farnesol
ME117272
445070
C01126
13.41
223.2057
Oblongolide_1
Oblongolide
ME117567
176630
C09519
13.65
221.1537
(+)-Bornane-2,5-dione_3
Bornane-2,5-dione
ME117267
20218
C03037
13.74
167.1069
Capsi-amide_1
Capsiamide
ME117393
47346
C17515
13.93
270.2792
Dodemorph
-
ME117448
61899
C18786
14.14
282.2793
(-)-Solenopsin A
-
ME117264
72523
C16782
14.16
254.2844
5,6-Dihydrouracil
Dihydrouracil
ME117340
649
C00429
1.42
115.0507
Hexadecasphinganine
C16 Sphinganine
ME117478
656816
C13915
14.21
274.2740
N-Acetyl-L-glutamate 5-semialdehyde
N-Acetyl-glutamate 5-semialdehyde
ME117546
192878
C01250
1.43
174.0764
Anandamide_1
Arachidonoyl-EA
ME117367
5281969
C11695
14.44
348.2895
ML-236C
ML 236C
ME117539
173650
C14043
14.53
291.1955
Naphthalene-1,2-diol
Naphthalene-1,2-diol
ME117549
11318
C03012
14.53
161.0599
Vermelone_1
-
ME117680
173699
C01624
14.53
179.0704
L-Valine_2
Valine
ME117527
6287
C00183
1.46
118.0867
Luciduline
Luciduline
ME117525
442480
C09872
14.60
208.1698
Auricularine_5
Auricularine
ME117374
441990
C09043
14.62
495.3488
Nitramine
N-Methyl-N-picrylnitramine
ME117555
10178
C10163
14.64
170.1542
Guanethidine
Guanethidine
ME117475
3518
C07036
14.67
199.1910
Tropinone_6
Tropinone
ME117667
446337
C00783
14.70
140.1072
(+)-Bornane-2,5-dione_2
Bornane-2,5-dione
ME117266
20218
C03037
14.71
167.1069
4-Heptyloxyphenol
4-Heptyloxyphenol
ME117331
25641
C14236
14.72
209.1538
alpha-Ionone
alpha-Ionone
ME117361
5282108
C12286
14.74
193.1589
p-Xylene
p-Xylene
ME117623
7809
C06756
14.74
107.0861
Anandamide_2
Arachidonoyl-EA
ME117368
5281969
C11695
14.77
348.2895
Capsi-amide_3
Capsiamide
ME117395
47346
C17515
14.77
270.2792
3-Buten-1-amine
3-Buten-1-amine
ME117316
443732
C12244
1.49
72.0816
Pirbuterol_2
Pirbuterol
ME117615
4845
C07807
14.92
241.1537
Auricularine_6
Auricularine
ME117375
441990
C09043
14.98
495.3489
Tropinone_3
Tropinone
ME117664
446337
C00783
15.02
140.1073
Acetylagmatine
Acetylagmatine
ME117354
439661
C02131
15.03
173.1387
(+)-Bornane-2,5-dione_4
Bornane-2,5-dione
ME117268
20218
C03037
15.06
167.1069
Glycidyl stearate
-
ME117471
62642
C19427
15.16
341.3050
Octadecanamide
Stearamide
ME117570
31292
C13846
15.18
284.2947
7,10,13,16-Docosatetraenoylethanolamine
Adrenoyl-EA
ME117348
5282273
C13829
15.44
376.3207
Auricularine_2
Auricularine
ME117371
441990
C09043
15.48
495.3484
11beta,16alpha,17alpha,21-Tetrahydroxy-9alpha-fluo...
-
ME117284
228786
C14664
15.56
437.2331
2-(Methylthio)ethanesulfonate
Methyl-CoM
ME117294
893
C03920
1.57
156.9978
Tris(butoxyethyl)phosphate_3
-
ME117658
6540
C14446
15.73
399.2507
Di(2-ethylhexyl) adipate
Diethylhexyl adipate
ME117430
7641
C14240
15.77
371.3155
L-Asparagine
Asparagine
ME117491
6267
C00152
1.58
133.0611
N-Acetyl-L-2-amino-6-oxopimelate
-
ME117545
440719
C05539
1.58
232.0816
Auricularine_1
Auricularine
ME117370
441990
C09043
15.80
495.3477
L-Tryptophanamide_2
Tryptophanamide
ME117523
439356
C00977
15.99
204.1133
Fagomine
Fagomine
ME117458
72259
C10144
1.60
148.0969
L-Cysteate
Cysteic acid
ME117499
7140381
C00506
1.60
170.0126
N-Phenyl-1-naphthylamine_2
-
ME117563
7013
C14405
16.07
220.1123
2-Ethylhexyl phthalate_2
Monoethylhexyl phthalic acid
ME117302
-
C03343
16.18
279.1591
Auricularine_3
Auricularine
ME117372
441990
C09043
16.21
495.3479
Tropinone_5
Tropinone
ME117666
446337
C00783
16.39
140.1073
1,2-Diamino-4-nitrobenzene
-
ME117280
5111791
C19384
16.40
154.0613
2-Hydroxyfelbamate_2
2-Hydroxyfelbamate
ME117304
10400039
C16582
1.65
255.0975
Pyridoxamine_1
Pyridoxamine
ME117626
1052
C00534
16.53
169.0974
Piperidine_4
Piperidine
ME117610
8082
C01746
16.65
86.0971
Auricularine_4
Auricularine
ME117373
441990
C09043
16.66
495.3478
N-Phenyl-1-naphthylamine_3
-
ME117564
7013
C14405
16.70
220.1124
4-Hydroxy-2-butynal_2
4-Hydroxybut-2-ynal
ME117333
439778
C02648
1.69
85.0290
Bis(1-aziridinyl)morpholinophosphine sulfide_1
-
ME117381
62432
C19347
17.01
234.0820
L-Tryptophanamide_1
Tryptophanamide
ME117522
439356
C00977
17.06
204.1133
Tropinone_4
Tropinone
ME117665
446337
C00783
17.29
140.1073
Tris(butoxyethyl)phosphate_2
-
ME117657
6540
C14446
17.35
399.2507
Diisononyl phthalate_1
Diisononyl phthalate
ME117439
590836
C15221
17.46
419.3155
Piperidine_3
Piperidine
ME117609
8082
C01746
17.47
86.0971
Glycine_2
Glycine
ME117473
750
C00037
1.75
76.0401
Uracil_2
Uracil
ME117675
1174
C00106
1.75
113.0346
Diisononyl phthalate_2
Diisononyl phthalate
ME117440
590836
C15221
17.59
419.3156
Tropinone_2
Tropinone
ME117663
446337
C00783
17.59
140.1072
2-Hydroxyfelbamate_1
2-Hydroxyfelbamate
ME117303
10400039
C16582
1.77
255.0975
N-(Acetyloxy)benzenamine
N-(Acetyloxy)benzenamine
ME117541
153367
C02709
1.78
152.0697
Nicotinamide_2
Niacinamide
ME117554
936
C00153
1.79
123.0557
Carboxynorspermidine
Carboxynorspermidine
ME117396
44229223
C18174
17.95
176.1396
Brunfelsamidine
Brunfelsamidine
ME117386
5281683
C10133
17.96
110.0717
2,4-Dihydroxypteridine
Lumazine
ME117298
10250
C03212
17.98
165.0416
3-(2-Hydroxyphenyl)propanoate_1
3-(2-Hydroxyphenyl)propanoic acid
ME117308
6930705
C01198
18.09
167.0697
Desflurane
-
ME117429
42113
C07519
18.09
169.0090
Glycerone phosphate
Dihydroxyacetone phosphate
ME117470
668
C00111
18.09
171.0057
p-Aminobenzamidine dihydrochloride
-
ME117585
75626
C11628
18.09
208.0394
2,4-Dichlorobenzoate
2,4-Dichlorobenzoic acid
ME117297
4294268
C06670
18.10
190.9652
Canthin-6-one
Canthin-6-one
ME117392
97176
C09098
18.10
111.0395
Dichloromethane
Dichloromethane
ME117435
6344
C02271
18.10
84.9602
Rhodanine
Rhodanine
ME117632
1201546
C07280
18.11
133.9724
Zoxazolamine
Zoxazolamine
ME117686
6103
C13841
18.13
169.0168
3-(Hydrohydroxyphosphoryl)pyruvate
-
ME117312
-
C06368
18.15
152.9950
Thiomorpholine 3-carboxylate
Thiomorpholine-3-carboxylic acid
ME117646
440159
C03901
1.82
148.0428
Thiodiacetic acid
Thiodiacetic acid
ME117645
31277
C14872
18.27
151.0054
Bis(2-chloro-1-methylethyl)ether
-
ME117383
7944
C19350
18.39
171.0346
3,4-Dihydroxy-L-phenylalanine
DOPA
ME117313
6047
C00355
1.84
198.0763
L-Methionine S-oxide_1
Methionine sulfoxide
ME117513
158980
C02989
1.84
166.0534
Pyridoxine_1
Pyridoxine
ME117628
1054
C00314
1.84
170.0814
L-Methionine
Methionine
ME117512
6137
C00073
1.85
150.0584
Adenine
Adenine
ME117355
190
C00147
1.87
136.0620
Mandelonitrile
2-Hydroxy-2-phenylacetonitrile
ME117529
10758
C00561
1.89
134.0603
Succinylproline
Succinylproline
ME117640
194156
C11711
1.90
216.0865
Cytidine
Cytidine
ME117419
6175
C00475
1.97
244.0929
Cytosine
Cytosine
ME117420
597
C00380
1.97
112.0510
Dinitrosopentamethylenetetramine_1
-
ME117444
-
C19409
1.98
187.0942
Glutathione
Glutathione
ME117468
124886
C00051
1.99
308.0909
Otonecine_1
Otonecine
ME117579
5281740
C10356
2.03
186.1126
6-Acetamido-3-oxohexanoate_1
-
ME117343
440086
C03682
2.06
188.0919
5-Nitro-ortho-anisidine
2-Methoxy-5-nitroaniline
ME117341
7447
C19469
2.07
169.0610
Nicotinamide_1
Niacinamide
ME117553
936
C00153
2.08
123.0557
1-Pyrroline-2-carboxylate_1
1-Pyrroline-2-carboxylic acid
ME117292
440046
C03564
2.14
114.0554
Urate
Uric acid
ME117676
1175
C00366
2.16
169.0358
Crotanecine
Crotanecine
ME117411
394146
C10284
2.18
172.0970
Dopamine
Dopamine
ME117449
681
C03758
2.22
154.0865
Pyridoxal_2
Pyridoxal
ME117625
1050
C00250
2.24
168.0657
4-Oxoproline_2
4-Oxo-proline
ME117339
107541
C01877
2.26
130.0501
Piperidine_5
Piperidine
ME117611
8082
C01746
2.32
86.0970
cis-Aconitate
cis-Aconitic acid
ME117406
643757
C00417
2.33
175.0240
Urocanate_2
Urocanic acid
ME117679
1549103
C00785
2.41
139.0506
Hypoxanthine
Hypoxanthine
ME117482
790
C00262
2.42
137.0461
2-Maleylacetate
Maleylacetic acid
ME117306
5280500
C02222
2.43
159.0279
4-Hydroxybutanoic acid
4-Hydroxybutyric acid
ME117334
10413
C00989
2.67
105.0552
Butanoylphosphate
-
ME117389
266
C02527
2.67
169.0252
Diacetyl_1
Diacetyl
ME117431
650
C00741
2.68
87.0448
Bis(2-chloroethyl)ether
-
ME117384
8115
C14688
2.77
143.0018
Dinitrochlorobenzene
-
ME117443
6
C14397
2.78
202.9864
Succinic anhydride
Succinic anhydride
ME117639
7922
C19524
2.78
101.0239
Xanthine
Xanthine
ME117684
1188
C00385
2.88
153.0408
Isofenphos
Isofenphos
ME117484
32872
C11002
2.95
346.1246
L-Leucine_2
Leucine
ME117508
6106
C00123
2.96
132.1022
3-Oxohexobarbital
3-Oxohexobarbital
ME117325
439745
C02517
3.06
252.1109
Piperidine_2
Piperidine
ME117608
8082
C01746
3.08
86.0970
Otonecine_2
Otonecine
ME117580
5281740
C10356
3.10
186.1126
Phenylethylmalonamide_1
Phenylethylmalonamide
ME117602
23611
C07499
3.11
207.1129
6-Acetamido-3-oxohexanoate_2
-
ME117344
440086
C03682
3.19
188.0919
Uracil_1
Uracil
ME117674
1174
C00106
3.23
113.0349
Uridine
Uridine
ME117677
6029
C00299
3.23
245.0769
L-Leucine_1
Leucine
ME117507
6106
C00123
3.35
132.1022
Piperidine_1
Piperidine
ME117607
8082
C01746
3.35
86.0970
Urocanate_1
Urocanic acid
ME117678
1549103
C00785
3.49
139.0505
Tropine_2
Pseudotropine
ME117661
8424
C00729
3.61
142.1228
S-Allyl-L-cysteine
S-Allylcysteine
ME117635
9793905
C16759
3.62
162.0584
beta-Citryl-L-glutamate
Beta-Citryl-glutamic acid
ME117380
189741
C20775
3.79
322.0767
L-Tyrosine
Tyrosine
ME117524
6057
C00082
3.94
182.0815
Phenylpyruvate
Phenylpyruvic acid
ME117604
997
C00166
3.94
165.0548
Cyclohexane-1,3-dione_3
Cyclohexane-1,3-dione
ME117416
10434
C01066
3.99
113.0602
Portulacaxanthin I
-
ME117616
6325831
C08564
4.71
325.1032
Gallate
Gallic acid
ME117460
370
C01424
6.15
171.0289
Cerulenin_1
Cerulenin
ME117398
5282054
C12058
6.44
224.1282
L-Leucine_3
Leucine
ME117509
6106
C00123
6.46
132.1022
Piperidione_1
Piperidione
ME117612
6465
C17730
6.48
170.1177
11-Aminoundecanoic acid
11-Aminoundecanoic acid
ME117283
17083
C19325
6.49
202.1803
L-Metanephrine
L-Metanephrine
ME117511
688084
C05588
6.53
198.1126
DIMBOA
2,4-Dihydroxy-7-methoxy-2H-1,4-benzoxazin-3(4H)-one
ME117442
2358
C04720
6.54
212.0555
Pirbuterol_1
Pirbuterol
ME117614
4845
C07807
6.56
241.1546
Phenylethylmalonamide_2
Phenylethylmalonamide
ME117603
23611
C07499
6.57
207.1131
Indicaxanthin
Indicaxanthin
ME117483
6096870
C08549
6.61
309.1083
N-Methylpelletierine
Methylisopelletierine
ME117558
86786
C06184
6.64
156.1386
Hexylamine
Hexylamine
ME117480
8102
C08306
6.65
102.1282
3,4-Methylenedioxymethamphetamine
3,4-Methylenedioxymethamphetamine
ME117314
1615
C07577
6.66
194.1178
Isopropalin
-
ME117485
36606
C19063
6.66
310.1757
Ephedrine_1
Ephedrine
ME117450
9294
C01575
6.68
166.1228
L-Phenylalanine
Phenylalanine
ME117517
6140
C00079
6.69
166.0864
N-Methylaniline
N-Methylaniline
ME117556
7515
C02299
6.69
108.0813
N-Methyl-N,4-dinitrosoaniline
-
ME117557
60991
C19452
6.70
166.0621
D-2-Hydroxyisocaproate_1
D-Leucic acid
ME117421
439960
C03264
6.72
133.0862
N,N-Dihydroxy-L-tyrosine
N,N-Dihydroxy-tyrosine
ME117542
5461147
C15503
6.72
214.0711
S-Acetyldihydrolipoamide
S-Acetyldihydrolipoamide
ME117634
1076
C01136
6.72
250.0923
Tyr-OEt
Ethyl tyrosinate
ME117671
70364
C01458
6.72
210.1126
L-Kynurenine
Kynurenine
ME117506
161166
C00328
6.75
209.0921
O-Propanoylcarnitine
CAR 3:0
ME117576
188824
C03017
6.80
218.1387
Phenylethyl alcohol_1
2-Phenylethanol
ME117600
6054
C05853
6.85
123.0808
D-Cathinone
Cathinone
ME117426
62258
C08301
6.90
150.0915
Dinitrosopentamethylenetetramine_2
-
ME117445
-
C19409
6.91
187.0942
Tyramine
Tyramine
ME117670
5610
C00483
6.91
138.0915
Tropinone_1
Tropinone
ME117662
446337
C00783
6.94
140.1072
3-(Dimethylamino)propyl benzoate
3-(Dimethylamino)propyl benzoate
ME117311
2249229
C14168
6.95
208.1333
cis-4,5-Dihydroxy-4,5-dihydropyrene
-
ME117405
9543280
C18249
6.95
119.0496
Cyclohexanone
Cyclohexanone
ME117417
7967
C00414
6.99
99.0811
Cerulenin_2
Cerulenin
ME117399
5282054
C12058
7.02
224.1281
Dacarbazine
Dacarbazine
ME117424
5353562
C06936
7.03
183.0993
1,2,6-Hexanetriol
-
ME117279
7823
C20334
7.06
135.1018
Hexanoic acid
Caproic acid
ME117479
8892
C01585
7.08
117.0914
1-Phenylethylamine
-
ME117291
7408
C02455
7.15
122.0968
Isoquinoline
Isoquinoline
ME117486
8405
C06323
7.17
130.0654
Phenmetrazine
Phenmetrazine
ME117595
4762
C07432
7.17
178.1228
Cyclohexane-1,3-dione_2
Cyclohexane-1,3-dione
ME117415
10434
C01066
7.18
113.0602
Ephedrine_2
Ephedrine
ME117451
9294
C01575
7.19
166.1218
gamma-Coniceine
gamma-Coniceine
ME117461
442632
C10138
7.20
126.1280
Quercetin
Quercetin
ME117630
5280343
C00389
7.21
303.0503
8-Amino-7-oxononanoate
8-Amino-7-oxononanoic acid
ME117350
173
C01092
7.22
188.1282
Diisopropyl phosphate
-
ME117441
21884945
C03113
7.23
183.0779
Danielone
Danielone
ME117425
146167
C10674
7.24
213.0760
Mexiletine
Mexiletine
ME117538
4178
C07220
7.26
180.1384
O-Butanoylcarnitine
CAR 4:0
ME117569
213144
C02862
7.33
232.1544
L-Tryptophan
Tryptophan
ME117521
6305
C00078
7.36
205.0973
3-Methyl-2-oxobutanoic acid_2
Ketoisovaleric acid
ME117322
49
C00141
7.39
117.0553
(+)-Norephedrine_2
Phenylpropanolamine
ME117270
26934
C02343
7.39
152.1071
Benzyl (2R,3S)-2-methyl-3-hydroxybutanoate
-
ME117378
440386
C04561
7.40
209.1168
Phendimetrazine_2
Phendimetrazine
ME117594
30487
C07904
7.42
192.1384
Coniine
Coniine
ME117408
9985
C06523
7.43
128.1437
Pyridoxine_2
Pyridoxine
ME117629
1054
C00314
7.45
170.0813
Ethyl isovalerate_2
Ethyl isovalerate
ME117455
7945
C12290
7.48
131.1070
Methyl 2-diazoacetamidohexonate
Methyl 2-diazoacetamidohexonate
ME117535
439447
C01223
7.48
215.1256
(-)-Hygroline
Hygroline
ME117258
442642
C10152
7.49
144.1385
Phenacetin
Phenacetin
ME117592
4754
C07591
7.50
180.1020
Cyclohexylsulfamate
Cyclamic acid
ME117418
7533
C02824
7.59
180.0699
Genipin
Genipin
ME117463
442424
C09780
7.65
227.0911
Pseudopelletierine
psi-Pelletierine
ME117621
11096
C10865
7.68
154.1228
Isovalerylcarnitine_1
CAR 4:0;3Me
ME117487
6426851
C20826
7.72
246.1700
Magnesium dipropionate
-
ME117528
6453238
C18384
7.74
171.0498
Methamphetamine_2
Methamphetamine
ME117534
10836
C07164
7.77
150.1279
2-Amino-5-chlorophenol
-
ME117300
91591
C20669
7.79
144.0208
Phthalate
Phthalic acid
ME117605
1017
C01606
7.79
167.0344
1,4-Naphthoquinone
Naphthoquinone
ME117282
8530
C02617
7.82
159.0441
Amphetamine
Dextroamphetamine
ME117366
3007
C07514
7.84
136.1123
Piperidione_2
Piperidione
ME117613
6465
C17730
7.85
170.1177
N-Trimethyl-2-aminoethylphosphonate_1
-
ME117565
1014
C06459
7.99
169.0860
(3-Arylcarbonyl)-alanine
-
ME117273
412786
C03450
8.00
194.0813
Otonecine_3
Otonecine
ME117581
5281740
C10356
8.02
186.1126
Ethyl tiglate_2
Ethyl tiglate
ME117457
5281163
C08487
8.06
129.0913
N-Trimethyl-2-aminoethylphosphonate_2
-
ME117566
1014
C06459
8.22
169.0861
(+)-Norephedrine_1
Phenylpropanolamine
ME117269
26934
C02343
8.24
152.1071
p-Cymene_2
p-Cymene
ME117587
7463
C06575
8.26
135.1171
Benzamide
Benzamide
ME117377
2331
C09815
8.29
122.0604
Sulcatone
Sulcatone
ME117641
9862
C07287
8.41
127.1121
Tropine_1
Pseudotropine
ME117660
8424
C00729
8.44
142.1228
Cinnamaldehyde
Cinnamaldehyde
ME117400
637511
C00903
8.46
133.0651
Ethyl 3-(N-butylacetamido)propionate
-
ME117453
104150
C18830
8.46
216.1596
Octylamine
Octylamine
ME117573
8143
C01740
8.48
130.1593
3-Methoxybenzyl alcohol_2
3-Methoxybenzyl alcohol
ME117320
81437
C03352
8.57
139.0755
D-2-Hydroxyisocaproate_3
D-Leucic acid
ME117423
439960
C03264
8.57
133.0862
4-Hydroxyphenylacetate_2
4-Hydroxyphenyl acetate
ME117336
127
C00642
8.60
153.0547
Octanoic acid_2
Caprylic acid
ME117572
379
C06423
8.60
145.1224
Methamphetamine_1
Methamphetamine
ME117533
10836
C07164
8.62
150.1280
1-Octanal_3
Caprylaldehyde
ME117290
454
C01545
8.65
129.1277
Lidocaine
Lidocaine
ME117505
3676
C07073
8.65
235.1805
Geranyl formate_1
-
ME117465
5282109
C12294
8.67
183.1382
3-(4-Hydroxyphenyl)lactate
Hydroxyphenyllactic acid
ME117310
9378
C03672
8.69
183.0654
5-Oxo-1,2-campholide
5-Oxo-1,2-campholide
ME117342
439864
C02952
8.75
183.1018
Octanoic acid_1
Caprylic acid
ME117571
379
C06423
8.76
145.1224
Toluene-cis-dihydrodiol
(1S,2R)-3-Methylcyclohexa-3,5-diene-1,2-diol
ME117649
1141
C04592
8.78
127.0757
Hercynine
Hercynine
ME117477
5459798
C05575
8.84
199.1305
Ethyl tiglate_1
Ethyl tiglate
ME117456
5281163
C08487
8.86
129.0913
Cycloheptanecarboxylic acid
Cycloheptanecarboxylic acid
ME117413
15091
C12104
8.92
143.1068
D-2-Hydroxyisocaproate_2
D-Leucic acid
ME117422
439960
C03264
8.93
133.0861
Trp-P-1
-
ME117668
5284474
C19306
8.94
212.1184
6-Methoxymellein
-
ME117347
83412
C02381
8.99
209.0811
Mephentermine_1
Mephentermine
ME117531
3677
C07889
9.02
164.1435
4-Hydroxyphenylacetate_1
4-Hydroxyphenyl acetate
ME117335
127
C00642
9.05
153.0547
Ethyl isovalerate_1
Ethyl isovalerate
ME117454
7945
C12290
9.07
131.1069
Bis(1-aziridinyl)morpholinophosphine sulfide_2
-
ME117382
62432
C19347
9.10
234.0818
Sinapyl alcohol
Sinapyl alcohol
ME117636
5280507
C02325
9.10
211.0966
trans-Cinnamate_1
trans-Cinnamic acid
ME117651
444539
C00423
9.10
149.0599
Nonanoic acid
Pelargonic acid
ME117561
8158
C01601
9.19
159.1381
Vermelone_2
-
ME117681
173699
C01624
9.19
179.0705
3-tert-Butyl-5-methylcatechol_2
3-tert-Butyl-5-methylcatechol
ME117327
66095
C03929
9.24
181.1224
Glycocholate
Glycocholic acid
ME117474
10140
C01921
9.36
466.3159
2,2-Dimethyl-8-prenylchromene 6-carboxylic acid
2,2-Dimethyl-8-prenylchromene 6-carboxylic acid
ME117295
441962
C09003
9.40
273.1484
Retinoate
Retinoic acid
ME117631
444795
C00777
9.45
301.2159
Prostaglandin B1
PGB1
ME117620
5280388
C00959
9.48
337.2368
Leukotriene A4
LTA4
ME117500
5280383
C00909
9.52
319.2266
Nandrolone
Nandrolone
ME117548
9904
C07254
9.53
275.2008
Geranyl formate_2
-
ME117466
5282109
C12294
9.55
183.1382
Pyridoxal_1
Pyridoxal
ME117624
1050
C00250
9.55
168.0656
Mephentermine_2
Mephentermine
ME117532
3677
C07889
9.56
164.1435
Heptadecatrienoic acid
Heptadecatrienoic acid
ME117476
16061034
C16344
9.59
265.2159
Otonecine_4
Otonecine
ME117582
5281740
C10356
9.66
186.1126
Dicyclohexylamine
N,N-Dicyclohexylamine
ME117436
7582
C14686
9.70
182.1905
(-)-Limonene_2
Limonene
ME117260
439250
C00521
9.73
137.1326
Nonane-4,6-dione
Nonane-4,6-dione
ME117560
26454
C02445
9.75
157.1225
3-Methoxybenzyl alcohol_1
3-Methoxybenzyl alcohol
ME117319
81437
C03352
9.78
139.0755
Phenyl acetate
Phenyl acetate
ME117596
31229
C00548
9.80
137.0599
(-)-Menthone
Menthone
ME117261
26447
C00843
9.84
155.1431
Phenylacetaldehyde_1
Phenylacetaldehyde
ME117597
998
C00601
9.85
121.0653
3-tert-Butyl-5-methylcatechol_3
3-tert-Butyl-5-methylcatechol
ME117328
66095
C03929
9.86
181.1223
3-Ethoxyandrosta-3,5-dien-17beta-ol propanoate
-
ME117318
251872
C15057
9.88
373.2735
cis-1,2-Dihydronaphthalene-1,2-diol_4
(1R,2S)-1,2-Dihydronaphthalene-1,2-diol
ME117404
440294
C04314
9.88
163.0755
Phenylethyl alcohol_2
2-Phenylethanol
ME117601
6054
C05853
9.90
123.0807
Decanoic acid
Capric acid
ME117427
2969
C01571
9.96
173.1538
Benzyl alcohol
Benzyl alcohol
ME117379
244
C00556
9.97
109.0654
(-)-Carvone
Carvone
ME117257
439570
C01767
9.97
151.1119
p-Cymene_3
p-Cymene
ME117588
7463
C06575
9.99
135.1170
Analysis: UHPLC HESI NEGATIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
Ammonium peroxydisulfate
-
ME117791
62648
-
0.81
226.9663
Oltipraz
-
ME117976
47318
-
0.82
224.9628
cis-2-Methylaconitate
cis-2-Methylaconitate
ME117819
3080625
-
0.85
187.0213
Methimazole
Methimazole
ME117945
1349907
-
0.85
113.0173
Chloral hydrate
Chloral hydrate
ME117816
2707
C06899
0.88
162.9122
Bromomethane
-
ME117809
6323
-
0.91
92.9373
Cadmium
-
ME117811
23973
-
0.92
112.8959
Daucic acid_2
-
ME117838
21578281
-
0.93
203.0204
Dimethyl tetrasulfide
-
ME117855
79828
-
0.94
156.9254
L-Glutamine
Glutamine
ME117930
5961
C00064
0.94
145.0621
Phosphoric acid
Phosphoric acid
ME117991
1004
C00009
0.94
96.9693
Sulfurous acid
-
ME118028
1100
-
0.94
80.9666
Taurine
Taurine
ME118029
1123
C00245
0.94
124.0075
2-(2-Thienylmethylene)-1,6-dioxaspiro[4.4]non-3-en...
-
ME117703
-
-
0.95
219.0453
Liqcoumarin
-
ME117932
11378967
-
0.95
217.0485
Methoxsalen
-
ME117946
4114
-
0.95
215.0330
3-Dechloroethylifosfamide_2
-
ME117730
114861
-
0.96
197.0222
4-Chloro-3,5-dimethoxybenzaldehyde
-
ME117759
12398450
-
0.96
199.0194
Isoplumbagin
-
ME117919
-
-
0.96
187.0381
Potassium 2-(1'-ethoxy) ethoxypropanoate
-
ME117995
-
-
0.96
199.0380
2-Hydroxyethanesulfonate
2-Hydroxyethanesulfonate
ME117714
7866
C05123
0.97
124.9916
5-Acetylamino-6-formylamino-3-methyluracil
5-Acetylamino-6-formylamino-3-methyluracil
ME117770
108214
C16365
0.97
225.0618
Dibenzyl disulfide
-
ME117847
9012
-
0.97
245.0431
Galactitol
Galactitol
ME117877
11850
C01697
0.98
181.0720
L-Glutamic acid
Glutamic acid
ME117929
33032
-
0.98
146.0460
Norfuraneol
Norfuraneol
ME117971
4564493
-
0.98
113.0244
O-Demethylfonsecin
-
ME117974
-
-
0.98
275.0539
D-Glucose
Glucose
ME117845
5793
C00031
0.99
179.0561
Galactonic acid
Galactonic acid
ME117878
128869
C00880
0.99
195.0511
N-Glycolylneuraminic acid
N-Glycolylneuraminic acid
ME117967
440001
-
0.99
324.0932
5-Acetylamino-6-amino-3-methyluracil
5-Acetylamino-6-amino-3-methyluracil
ME117769
88299
C16366
1.00
197.0665
Angelicin_2
Angelicin
ME117793
10658
C09060
1.00
185.0224
Citrulline
Citrulline
ME117824
9750
C00327
1.00
174.0884
Decitabine
Decitabine
ME117840
451668
-
1.00
227.0774
Ribitol
Ribitol
ME118006
6912
C00379
1.00
151.0613
Prostaglandin F2a_1
PGF2alpha
ME117997
5280363
C00639
10.05
353.2334
Isosakuranin
-
ME117920
42607950
-
10.07
447.1336
1,3,7-Trimethyluric acid
1,3,7-Trimethyluric acid
ME117697
79437
C16361
1.01
209.0667
2-Hydroxyadipic acid
2-Hydroxyadipic acid
ME117713
193530
C02360
1.01
161.0456
2-Ketobutyric acid
3-Methyl pyruvic acid
ME117716
58
C00109
1.01
101.0242
Carbenicillin
Carbenicillin
ME117815
20824
-
1.01
377.0854
Hypoxanthine_2
Hypoxanthine
ME117907
790
C00262
1.01
135.0301
Tolcapone
Tolcapone
ME118037
4659569
C07949
1.01
272.0542
Traumatic acid
Traumatic acid
ME118043
5283028
C16308
10.13
227.1289
3-Methoxybenzenepropanoic acid_1
3-Methoxybenzenepropanoic acid
ME117751
66336
-
10.14
179.0713
1,4-Ipomeadiol
1,4-Ipomeadiol
ME117698
171233
-
10.15
169.0871
Deoxycholic acid glycine conjugate
Glycodeoxycholic acid
ME117841
3035026
-
10.15
448.3071
3-Dechloroethylifosfamide_3
-
ME117731
114861
-
10.18
197.0203
5-Chloro-6-methoxy-2(3H)-benzoxazolone
-
ME117771
-
-
10.18
197.9920
Deoxyribose 5-phosphate
Deoxyribose 5-phosphate
ME117843
635
-
10.18
213.0153
O-Phospho-4-hydroxy-L-threonine
O-Phospho-4-hydroxy-threonine
ME117978
440901
-
10.18
214.0127
Dihydrolipoate
(R)-Dihydrolipoic acid
ME117853
421
-
1.02
207.0510
Gallium nitrate
-
ME117879
61635
-
1.02
253.8790
I(-)
Isoleucine
ME117908
30165
-
1.02
126.9051
3-Hydroxycapric acid_2
10-Hydroxydecanoic acid
ME117742
26612
-
10.20
187.1340
1,11-Undecanedicarboxylic acid
Tridecanedioic acid
ME117695
10458
-
10.25
243.1602
Bromobenzene-2,3-dihydrodiol
-
ME117808
134067
-
10.25
188.9517
P-Dichlorobenzene
p-Dichlorobenzene
ME117985
4685
-
10.25
144.9619
Epicatechin_2
Epicatechin
ME117867
72276
-
10.28
289.0693
Monoisobutyl phthalic acid
Monoisobutyl phthalate
ME117959
92272
-
10.28
221.0818
3-Hydroxyanthranilic acid
3-Hydroxyanthranilic acid
ME117740
86
C00632
10.29
152.0354
Methyl 1-(1-propenylthio)propyl disulfide_2
-
ME117949
-
-
1.03
193.0137
3-Methoxybenzenepropanoic acid_3
3-Methoxybenzenepropanoic acid
ME117753
66336
-
10.39
179.0713
Allantoin
Allantoin
ME117785
204
C01551
1.04
157.0368
9,12,13-TriHOME_1
9,12,13-TriHOME
ME117782
9858729
C14833
10.43
329.2335
3-Hydroxynonyl acetate_1
-
ME117747
234237
-
10.45
201.1496
Ethylphosphate
Ethylphosphate
ME117870
74190
-
1.05
125.0010
3-Hydroxynonyl acetate_2
-
ME117748
234237
-
10.56
201.1496
Tenofovir
-
ME118032
464205
-
10.63
286.0683
3-Dechloroethylifosfamide_1
-
ME117729
114861
-
10.78
197.0205
4-Hydroxydiphenylamine
-
ME117763
31208
-
1.08
184.0746
Glyceric acid
Glyceric acid
ME117893
439194
C00258
1.08
105.0192
Gingerol_2
Gingerol
ME117885
3473
C10462
10.81
293.1760
Secoisolariciresinol_2
Secoisolariciresinol
ME118016
65373
-
10.81
361.1635
Mevalonic acid-5P
5-Phosphomevalonic acid
ME117952
439400
C01107
10.84
227.0313
3-Hydroxy-6,8-dimethoxy-7(11)-eremophilen-12,8-oli...
-
ME117738
-
-
10.87
309.1707
Perfluorooctanoic acid_2
Perfluorooctanoic acid
ME117987
9554
-
10.93
412.9665
Perfluorooctanoic acid_1
Perfluorooctanoic acid
ME117986
9554
-
10.94
412.9665
3-Hydroxy-6,8-dimethoxy-7(11)-eremophilen-12,8-oli...
-
ME117739
-
-
10.96
309.1709
Isovitexin 2''-O-glucoside
-
ME117922
185995
-
1.10
593.1566
Humulinic acid A
-
ME117905
101306745
-
11.07
265.1478
Lipoyllysine
-
ME117931
-
-
11.07
333.1355
Gravelliferone
-
ME117895
14133589
-
11.11
297.1531
3-Hydroxydodecanoic acid
3-Hydroxydodecanoic acid
ME117744
94216
-
11.14
215.1654
Curcumin II
-
ME117829
5469424
-
11.14
365.1406
PC-M6
-
ME117983
-
-
11.17
420.2509
Urolithin B
Urolithin B
ME118049
5380406
-
11.22
211.0361
Imiquimod
Imiquimod
ME117913
57469
-
11.25
239.1288
Brompheniramine
Brompheniramine
ME117810
6834
C06857
11.29
317.0693
Capric acid
Capric acid
ME117814
2969
C01571
11.29
171.1392
Remoxipride
-
ME118005
54477
-
11.29
369.0842
Zeranol
-
ME118058
2999413
-
11.31
321.1743
Gingerol_1
Gingerol
ME117884
3473
C10462
11.34
293.1760
Secoisolariciresinol_1
Secoisolariciresinol
ME118015
65373
-
11.34
361.1633
Fexofenadine
Fexofenadine
ME117871
3348
C06999
11.37
500.2790
3-Hydroxy-6,8-dimethoxy-7(11)-eremophilen-12,8-oli...
-
ME117737
-
-
11.38
309.1744
Creatine-D3
Creatine
ME117828
-
-
1.14
133.0812
MG(0:0/15:0/0:0)_2
MG 0:0/15:0/0:0
ME117954
-
-
11.46
315.2539
MG(0:0/15:0/0:0)_1
MG 0:0/15:0/0:0
ME117953
-
-
11.47
315.2539
Creatine
Creatine
ME117827
586
C00300
1.15
130.0624
(S)-Isowillardiine
-
ME117692
-
-
1.15
198.0496
3-[[5-Methyl-2-(1-methylethyl)cyclohexyl]oxy]-1,2-...
-
ME117727
-
-
11.50
229.1809
Dodecanedioic acid_2
Dodecanedioic acid
ME117859
12736
C02678
11.50
229.1444
Ergothioneine
Ergothioneine
ME117869
3032311
C05570
1.16
228.0811
Zafirlukast metabolite M5
-
ME118057
-
-
1.16
590.1935
Ecabet_2
Ecabet
ME117863
65781
-
11.62
379.1564
Ecabet_1
Ecabet
ME117862
65781
-
11.63
379.1565
Methyl (9Z)-10'-oxo-6,10'-diapo-6-carotenoate
-
ME117947
-
-
11.63
311.1689
Gingerol_4
Gingerol
ME117887
3473
C10462
11.66
293.1765
Cytokinin B
Cytokinin B
ME117833
62389
C11263
11.69
224.0930
2',5'-Dihydroxychalcone_2
-
ME117708
5851813
-
11.73
239.0673
1-Acetoxy-2-hydroxy-16-heptadecyn-4-one
-
ME117699
6710762
-
11.76
323.2230
LysoPE(0:0/22:5(4Z,7Z,10Z,13Z,16Z))
LPE 0:0/22:5(4Z,7Z,10Z,13Z,16Z)
ME117942
-
-
11.79
526.2940
Metyrosine
Metyrosine
ME117951
441350
C07921
11.79
194.0821
Ribothymidine_1
Ribothymidine
ME118007
445408
-
11.79
257.0781
Glutaconic acid_5
Glutaconic acid
ME117892
5280498
C02214
1.18
129.0195
Isoacitretin_2
Isoacitretin
ME117918
6437841
-
11.91
325.1842
Alpha-CEHC
alpha-CEHC
ME117786
9943542
-
11.97
277.1445
Gingerol_3
Gingerol
ME117886
3473
C10462
11.97
293.1797
Decanoylcarnitine
CAR 10:0
ME117839
11953821
C03299
12.01
314.2338
5-Ethynyl-5'-(1-propynyl)-2,2'-bithiophene
5-Ethynyl-5'-(1-propynyl)-2,2'-bithiophene
ME117772
176914
-
1.21
226.9965
Quinolinic acid
Quinolinic acid
ME118004
1066
C03722
1.21
166.0180
Succinic anhydride
Succinic anhydride
ME118021
7922
C19524
1.21
99.0086
Isoacitretin_1
Isoacitretin
ME117917
6437841
-
12.14
325.1842
8-iso-15-keto-PGE2
8-iso-15-keto-PGE2
ME117781
16061134
-
12.17
349.2049
cis-Aconitic acid
cis-Aconitic acid
ME117821
643757
C00417
1.22
173.0093
Imidazole acetol-phosphate_2
Imidazole acetol-phosphate
ME117910
792
C01267
1.22
219.0146
3-keto-Digoxigenin
-
ME117749
-
-
12.30
387.2152
5,6-Epoxy-8,11,14-eicosatrienoic acid
-
ME117768
5353351
-
12.30
319.2278
Canrenone
Canrenone
ME117813
13789
-
12.37
339.2001
N-(p-Hydroxyphenethyl)actinidine
N-(p-Hydroxyphenethyl)actinidine
ME117960
442550
-
12.39
267.1604
Rishitin
Rishitin
ME118010
108064
C09715
12.39
221.1547
Valerenic acid
-
ME118051
6440940
-
12.62
233.1549
2',5'-Dihydroxychalcone_1
-
ME117707
5851813
-
12.74
239.0673
LysoPC(15:0)
LPC 15:0
ME117941
24779458
-
12.85
480.3101
MG(0:0/24:6(6Z,9Z,12Z,15Z,18Z,21Z)/0:0)_1
MG 0:0/24:6(6Z,9Z,12Z,15Z,18Z,21Z)/0:0
ME117955
-
-
13.29
429.3041
2-Chloromaleylacetate
2-Chloromaleylacetate
ME117711
9543161
-
1.33
190.9731
Fumaric acid_2
Fumaric acid
ME117876
444972
C00122
1.34
115.0037
L-Malic acid
Malic acid
ME117936
222656
C00497
1.34
133.0144
MG(0:0/24:6(6Z,9Z,12Z,15Z,18Z,21Z)/0:0)_2
MG 0:0/24:6(6Z,9Z,12Z,15Z,18Z,21Z)/0:0
ME117956
-
-
13.50
429.3041
Propyl 1-(propylsulfinyl)propyl disulfide
-
ME117996
-
-
13.95
239.0601
Arachidonic acid
Arachidonic acid
ME117796
444899
C00219
14.15
303.2327
Isosyringinoside
-
ME117921
57399043
-
14.31
533.1823
Ascorbic acid_2
Vitamin C
ME117800
54670067
C00072
1.45
175.0249
Sulfaphenazole
Sulfaphenazole
ME118026
5335
-
14.62
313.0786
cyclic GMP-AMP
-
ME117831
71563406
-
14.86
673.0966
N-Undecanoylglycine_2
N-Undecanoylglycine
ME117973
454092
-
14.88
242.1763
2-Aminomuconic acid
2-Aminomuconic acid
ME117710
5459864
C02220
14.94
156.0316
Palmitic acid
Palmitic acid
ME117982
985
C00249
15.02
255.2329
1-Naphthaleneacetic acid_2
-
ME117702
6862
-
15.06
185.0580
Oleic acid
Oleic acid
ME117975
445639
C00712
15.08
281.2486
Ammonium lactate
Lactic acid
ME117790
62358
-
15.25
106.0531
N2-Succinyl-L-glutamic acid 5-semialdehyde
-
ME117961
440848
-
1.53
230.0669
Cholesterol sulfate
Cholesterol sulfate
ME117817
65076
C18043
15.31
465.3046
Arabinonic acid
Arabinonic acid
ME117795
122045
C00878
15.32
165.0410
Bentoquatam
-
ME117802
517273
-
1.55
178.9204
L-Lactic acid
Lactic acid
ME117935
107689
C00186
1.55
89.0240
Oxoglutaric acid
2-Oxoglutaric acid
ME117981
51
C00026
1.55
145.0144
Phosphoramide mustard
Phosphoramide mustard
ME117990
96356
-
1.55
218.9822
Zymonic acid
-
ME118059
71436380
-
1.55
157.0119
2-Methoxystypandrone
-
ME117717
158739
-
1.56
259.0570
Glutaconic acid_3
Glutaconic acid
ME117890
5280498
C02214
1.58
129.0184
Stearic acid
Stearic acid
ME118020
5281
C01530
16.42
283.2644
Glutaconic acid_4
Glutaconic acid
ME117891
5280498
C02214
1.66
129.0193
Uracil
Uracil
ME118045
1174
C00106
1.71
111.0200
3-Ethylpyridine
-
ME117733
10823
-
17.37
106.0698
alpha-Fluoro-beta-alanine
-
ME117787
13351
-
17.38
106.0292
Uridine_2
Uridine
ME118048
6029
C00299
1.74
243.0623
Sertraline_1
Sertraline
ME118017
68617
-
1.78
304.0677
Droxidopa
-
ME117861
92974
-
1.79
212.0568
N-Acetyl-L-aspartic acid
N-Acetylaspartic acid
ME117963
65065
C01042
1.79
174.0409
Sulfamethoxazole_3
Sulfamethoxazole
ME118024
5329
-
1.80
252.0468
Diclofenac
Diclofenac
ME117848
3033
C01690
1.81
294.0128
Iodotyrosine
Iodotyrosine
ME117916
439744
C02515
1.81
305.9653
Norepinephrine_1
Norepinephrine
ME117969
439260
-
1.81
168.0667
7-Hydroxyticlopidine
-
ME117780
-
-
1.82
278.0426
Arecoline
Arecoline
ME117797
2230
C10129
1.82
154.0876
Cyanidin-3-galactoside
-
ME117830
10299753
-
1.82
483.0702
Topaquinone_3
Topaquinone
ME118040
123871
-
1.82
210.0412
2-Amino-5,6-dichloro-3,4,-dihydroquinazoline
-
ME117709
-
-
1.83
213.9899
Bromazepam
-
ME117807
2441
-
1.83
313.9971
Diethylcarbamazine N-oxide
-
ME117849
161840
-
1.83
214.1547
Dopamine
Dopamine
ME117860
681
C03758
1.83
152.0719
Calcium Gluceptate
-
ME117812
62859
-
1.84
489.0804
Kinetin
Kinetin
ME117924
3830
C08272
1.84
214.0721
L-Dopa
DOPA
ME117928
6047
C00355
1.84
196.0615
Sulfamethoxazole_1
Sulfamethoxazole
ME118022
5329
-
1.84
252.0460
Pyridoxal
Pyridoxal
ME118000
1050
C00250
1.87
166.0510
Citramalic acid
Citramalic acid
ME117822
1081
C00815
1.89
147.0299
Cytidine
Cytidine
ME117832
6175
C00475
1.90
242.0784
1-Isothiocyanato-8-(methylthio)octane
-
ME117700
-
-
1.98
216.0876
Tetraphyllin B_2
-
ME118034
115164
-
1.98
286.0936
2,3-Diaminosalicylic acid
2,3-Diaminosalicylic acid
ME117705
53481637
-
2.01
167.0463
Uric acid
Uric acid
ME118046
1175
C00366
2.09
167.0211
Pyroglutamic acid_1
Pyroglutamic acid
ME118002
7405
C01879
2.19
128.0355
5-Methylthioribose 1-phosphate_1
5-Methylthioribose 1-phosphate
ME117773
53477720
-
2.22
259.0072
Citric acid
Citric acid
ME117823
311
C00158
2.22
191.0197
Fospropofol_2
-
ME117874
3038498
-
2.26
331.0677
Ophthalmic acid
Ophthalmic acid
ME117979
7018721
-
2.26
288.1202
Hypoxanthine_1
Hypoxanthine
ME117906
790
C00262
2.33
135.0304
3-Methyluric acid
3-Methyluric acid
ME117755
11804
-
2.34
181.0369
Daucic acid_1
-
ME117837
21578281
-
2.34
203.0186
Epicatechin_3
Epicatechin
ME117868
72276
-
2.36
289.0679
4-Hydroxyproline
cis-4-Hydroxyproline
ME117765
440015
C01015
2.39
130.0511
4-Hydroxy-2-oxoglutaric acid
4-Hydroxy-2-oxoglutaric acid
ME117760
599
C01127
2.48
161.0093
Fumaric acid_1
Fumaric acid
ME117875
444972
C00122
2.48
115.0036
L-Cystine
Cystine
ME117927
67678
-
2.59
239.0148
Riluzole
Riluzole
ME118009
5070
-
2.59
232.9979
Sulfanilamide
Sulfanilamide
ME118025
5333
-
2.59
171.0275
3-Fumarylpyruvate
-
ME117734
5280525
-
2.69
185.0067
Methylmalonic acid
Methylmalonic acid
ME117950
487
C02170
2.69
117.0193
Methyl 1-(1-propenylthio)propyl disulfide_1
-
ME117948
-
-
2.76
193.0176
Glutaconic acid_2
Glutaconic acid
ME117889
5280498
C02214
2.77
129.0195
Imidazole acetol-phosphate_1
Imidazole acetol-phosphate
ME117909
792
C01267
2.79
219.0136
Xanthine
Xanthine
ME118056
1188
C00385
2.79
151.0263
Diethylphosphate
Diethylphosphate
ME117850
5166299
C06608
2.87
153.0314
3-Dehydroquinate
3-Dehydroquinate
ME117732
439351
C00944
2.90
189.0406
2-Methylcitric acid
2-Methylcitric acid
ME117723
515
-
3.01
205.0355
Epicatechin_1
Epicatechin
ME117866
72276
-
3.12
289.0678
Uridine_1
Uridine
ME118047
6029
C00299
3.12
243.0623
1-(sn-Glycero-3-phospho)-1D-myo-inositol
sn-Glycero-3-phosphoinositol
ME117694
45480545
C01225
3.13
333.0575
Ascorbic acid_1
Vitamin C
ME117799
54670067
C00072
3.15
175.0248
2-Indolecarboxylic acid
-
ME117715
72899
-
3.50
160.0438
Ribothymidine_2
Ribothymidine
ME118008
445408
-
3.62
257.0781
Beta-Citryl-L-glutamic acid
Beta-Citryl-glutamic acid
ME117805
189741
-
3.66
320.0624
dADP
dADP
ME117836
188966
C00206
3.66
410.0314
Alpha-ketoisovaleric acid
Ketoisovaleric acid
ME117788
49
C00141
3.80
115.0400
L-Tyrosine
Tyrosine
ME117938
6057
C00082
3.81
180.0668
Sulfapyridine
Sulfapyridine
ME118027
5336
-
3.81
248.0541
Sertraline_2
Sertraline
ME118018
68617
-
4.07
304.0676
cis-3-Chloroallyl aldehyde
-
ME117820
9543055
-
5.12
88.9784
Homolanthionine_2
-
ME117901
-
-
5.25
267.0623
Diethylthiophosphate
Diethylthiophosphate
ME117851
3683036
C06607
5.90
169.0141
5-Methylthioribose 1-phosphate_2
5-Methylthioribose 1-phosphate
ME117774
53477720
-
5.92
259.0088
Iminoaspartic acid_1
Iminoaspartic acid
ME117911
796
-
6.33
130.0146
Iminoaspartic acid_2
Iminoaspartic acid
ME117912
796
-
6.33
130.0146
Lomustine
Lomustine
ME117937
3950
-
6.40
232.0827
Sulfamethoxazole_2
Sulfamethoxazole
ME118023
5329
-
6.40
252.0491
Topaquinone_2
Topaquinone
ME118039
123871
-
6.41
210.0409
3-Hydroxy-2-methyl-[R-(R,S)]-butanoic acid
-
ME117735
12313370
-
6.44
117.0558
Glutaconic acid_1
Glutaconic acid
ME117888
5280498
C02214
6.50
129.0196
2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galact...
-
ME117704
22833592
-
6.51
364.1275
Garcinone B
-
ME117880
5495928
-
6.51
393.1308
Melibiose
Melibiose
ME117943
11458
C05402
6.53
341.1117
4',5-Dihydroxy-7-methoxy-6-methylflavone_1
-
ME117756
-
-
6.58
297.0734
Fospropofol_1
-
ME117873
3038498
-
6.58
331.0677
Norepinephrine_2
Norepinephrine
ME117970
439260
-
6.61
168.0667
Tetraphyllin B_1
-
ME118033
115164
-
6.65
286.0925
L-Kynurenine
Kynurenine
ME117934
161166
C00328
6.73
207.0774
Pyroglutamic acid_2
Pyroglutamic acid
ME118003
7405
C01879
6.77
128.0355
Pyrocatechol sulfate
Catechol sulfate
ME118001
3083879
-
6.80
188.9864
3-Methylcrotonylglycine
3-Methylcrotonylglycine
ME117754
169485
-
6.83
156.0666
2-Methylbutyrylglycine_2
2-Methylbutyrylglycine
ME117721
193872
-
6.85
158.0823
2-Methylbutyrylglycine_1
2-Methylbutyrylglycine
ME117720
193872
-
6.89
158.0823
2-Methylbutyrylglycine_3
2-Methylbutyrylglycine
ME117722
193872
-
6.89
158.0823
5-Sulfoxymethylfurfural
-
ME117775
-
-
6.92
204.9813
Flusilazole
-
ME117872
73675
-
6.95
314.0883
Bretylium
Bretylium
ME117806
2431
-
7.00
241.0471
Midazolam
Midazolam
ME117957
4192
C07524
7.03
324.0727
Phenol sulphate
Phenyl hydrogen sulfate
ME117988
-
-
7.07
172.9915
2-Methyl-3-ketovaleric acid_2
2-Methyl-3-ketovaleric acid
ME117719
189028
-
7.09
129.0559
Vanillylmandelic acid_2
Vanillylmandelic acid
ME118054
1245
C05584
7.09
197.0431
Hamamelitannin_2
-
ME117897
16211077
-
7.14
483.0775
Salicyluric acid
Salicyluric acid
ME118011
10253
C07588
7.18
194.0460
Homolanthionine_1
-
ME117900
-
-
7.21
267.0622
Gentisic acid_1
Gentisic acid
ME117882
3469
C00628
7.23
153.0195
4-Hydroxyphenylpyruvic acid
4-Hydroxyphenylpyruvic acid
ME117764
979
C01179
7.25
179.0350
Vanillactic acid
Vanillactic acid
ME118052
160637
-
7.25
211.0612
Topiramate
Topiramate
ME118041
5284627
C07502
7.27
338.0882
4',5-Dihydroxy-7-methoxy-6-methylflavone_2
-
ME117757
-
-
7.30
297.0739
Genipinic acid
-
ME117881
-
-
7.30
241.0716
Miglitol
Miglitol
ME117958
441314
C07708
7.30
206.1014
Sarmentosin
Sarmentosin
ME118013
5281123
C08340
7.30
274.0892
Hamamelitannin_1
-
ME117896
16211077
-
7.31
483.0775
Dipropyl trisulfide
-
ME117857
22383
-
7.39
181.0143
2-Methyl-3-ketovaleric acid_1
2-Methyl-3-ketovaleric acid
ME117718
189028
-
7.47
129.0559
Vanillylmandelic acid_1
Vanillylmandelic acid
ME118053
1245
C05584
7.48
197.0431
3-Mercaptolactate-cysteine disulfide
-
ME117750
193536
-
7.53
239.9973
Salsoline-1-carboxylate
-
ME118012
6999660
-
7.60
236.0932
Indoxyl sulfate
Indoxyl sulfate
ME117915
10258
-
7.63
212.0023
4-Hydroxybenzoic acid_1
4-Hydroxybenzoic acid
ME117761
135
C00156
7.64
137.0246
Emtricitabine
Emtricitabine
ME117865
60877
-
7.67
246.0385
Hippuric acid
Hippuric acid
ME117898
464
C01586
7.67
178.0511
clofarabind-5'-monophosphate
-
ME117826
-
-
7.68
382.0140
Lamivudine-monophosphate
-
ME117926
-
-
7.68
308.0092
Sinalbin B
-
ME118019
10515775
-
7.68
263.0289
Angelicin_1
Angelicin
ME117792
10658
C09060
7.69
185.0277
1,3,4-Trigalloyl-beta-D-glucopyranose
-
ME117696
-
-
7.72
635.0883
Phthalic acid
Phthalic acid
ME117992
1017
C01606
7.74
165.0193
4-[2,2'-Bithiophen-5-yl]-3-butyn-1-ol
-
ME117758
-
-
7.75
233.0068
N-Heptanoylglycine
N-Heptanoylglycine
ME117968
10932172
-
7.81
186.1136
Homogentisic acid
Homogentisic acid
ME117899
780
C00544
7.85
167.0351
Gentisic acid_2
Gentisic acid
ME117883
3469
C00628
7.87
153.0194
3,4,5-Trimethoxyphenyl acetate
-
ME117726
276280
-
7.90
225.0771
3-Hydroxyisoheptanoic acid_2
3-Hydroxyisoheptanoic acid
ME117746
193804
-
7.91
145.0871
Homoveratric acid_2
Homoveratric acid
ME117904
7139
-
7.91
195.0661
Vanillylmandelic acid_3
Vanillylmandelic acid
ME118055
1245
C05584
7.93
197.0456
O-methoxycatechol-O-sulphate
-
ME117977
-
-
7.94
203.0022
Aminoparathion
-
ME117789
220
-
7.95
260.0542
Phenylacetylglycine
Phenylacetylglycine
ME117989
68144
C05598
7.95
192.0668
N-Acetylvanilalanine
N-Acetylvanilalanine
ME117964
12681285
-
8.01
252.0852
Pseudoecgonine
Pseudoecgonine
ME117999
443845
-
8.01
184.0980
p-Cresol sulfate
p-Cresol sulfate
ME117984
4615423
-
8.02
187.0072
Oxalosuccinic acid
Oxalosuccinic acid
ME117980
972
C05379
8.03
189.0030
2,4-Dihydroxyacetophenone 5-sulfate
-
ME117706
-
-
8.13
230.9968
2-Oxo-3-hydroxy-4-phosphobutanoic acid
2-Oxo-3-hydroxy-4-phosphobutanoic acid
ME117724
25245610
-
8.13
212.9792
D-Glyceraldehyde 3-phosphate
Glyceraldehyde 3-phosphate
ME117846
24794350
-
8.13
168.9895
Benzoic acid
Benzoic acid
ME117803
243
C00180
8.25
121.0296
Ellagic acid
Ellagic acid
ME117864
5281855
C10788
8.29
300.9994
Homoveratric acid_1
Homoveratric acid
ME117903
7139
-
8.31
195.0654
Nalidixic Acid
Nalidixic acid
ME117965
4421
C05079
8.33
231.0778
Chorismate
Chorismic acid
ME117818
12039
C00251
8.39
225.0402
(1R,3S,4S,6R)-6,9-Dihydroxyfenchone 6-O-b-D-glucos...
-
ME117689
-
-
8.44
345.1555
(2R,3S)-Piscidic acid
(2R,3S)-Piscidic acid
ME117690
120693
-
8.45
255.0513
Thorium_2
-
ME118036
23960
-
8.49
231.0336
Torasemide
-
ME118042
41781
-
8.53
347.1134
p-Hydroxyphenylacetic acid_2
4-Hydroxyphenylacetic acid
ME117994
127
C00642
8.56
151.0402
Diphenyl disulfide
-
ME117856
13436
-
8.59
217.0176
Homovanillic acid
Homovanillic acid
ME117902
1738
C05582
8.59
181.0508
Azelaic acid
Azelaic acid
ME117801
2266
C08261
8.60
187.0977
Liquiritin
Liquiritin
ME117933
503737
-
8.60
417.1189
Bergaptol
Bergaptol
ME117804
5280371
C00758
8.62
201.0228
1-Naphthaleneacetic acid_1
-
ME117701
6862
-
8.67
185.0567
Diflunisal
Diflunisal
ME117852
3059
C01691
8.67
249.0322
Indolelactic acid
Indolelactic acid
ME117914
92904
C02043
8.73
204.0665
3-Hydroxyisoheptanoic acid_1
3-Hydroxyisoheptanoic acid
ME117745
193804
-
8.78
145.0871
Dillapional
-
ME117854
5458880
-
8.78
235.0610
7-Hydroxyoctanoic acid_2
7-Hydroxyoctanoic acid
ME117778
167627
-
8.87
159.1027
Taurocholic acid
Taurocholic acid
ME118030
6675
C05122
8.87
514.2843
Aprobarbital
Aprobarbital
ME117794
6464
C07826
8.93
209.0949
6-Keto-prostaglandin F1a
6-Keto-PGF1alpha
ME117776
5280888
C05961
8.97
369.2282
7-Hydroxyoctanoic acid_1
7-Hydroxyoctanoic acid
ME117777
167627
-
9.04
159.1027
Thorium_1
-
ME118035
23960
-
9.05
231.0334
Sebacic acid
Sebacic acid
ME118014
5192
C08277
9.06
201.1134
4-Methoxycinnamic acid
4-Methoxycinnamic acid
ME117766
699414
-
9.08
177.0559
N-Decanoylglycine
N-Decanoylglycine
ME117966
1712391
-
9.15
228.1605
p-Hydroxyphenylacetic acid_1
4-Hydroxyphenylacetic acid
ME117993
127
C00642
9.22
151.0402
(R)-2-Benzylsuccinate
(R)-2-Benzylsuccinic acid
ME117691
444797
-
9.28
207.0662
4-Hydroxybenzoic acid_2
4-Hydroxybenzoic acid
ME117762
135
C00156
9.29
137.0245
(�)-3-Hydroxynonanoic acid_1
-
ME117687
-
-
9.34
173.1184
Glycocholic acid
Glycocholic acid
ME117894
10140
C01921
9.39
464.3022
Tauroursodeoxycholic acid
Tauroursodeoxycholic acid
ME118031
9848818
C16868
9.41
498.2899
N-Acetylcystathionine
N-Acetylcystathionine
ME117962
152314
-
9.42
263.0746
Dacarbazine_2
Dacarbazine
ME117835
5353562
-
9.43
181.0872
Laccarin
-
ME117925
10774183
-
9.44
193.0998
Metaxalone
Metaxalone
ME117944
15459
C07934
9.44
220.0980
7-Hydroxyoctanoic acid_3
7-Hydroxyoctanoic acid
ME117779
167627
-
9.46
159.1027
Lubiprostone
Lubiprostone
ME117939
157920
-
9.47
389.2104
Undecanedioic acid
Undecanedioic acid
ME118044
15816
-
9.47
215.1288
Deoxypyridinoline
Deoxypyridinoline
ME117842
105071
-
9.49
411.1931
Prostaglandin F2a_2
PGF2alpha
ME117998
5280363
C00639
9.49
353.2334
(Z)-Resveratrol 3,4'-diglucoside
-
ME117693
-
-
9.49
551.1802
KB 2
-
ME117923
-
-
9.50
453.1579
Ustiloxin C
-
ME118050
157841
-
9.50
557.1968
9,12,13-TriHOME_3
9,12,13-TriHOME
ME117784
9858729
C14833
9.52
329.2336
3-Hydroxy-2-methylpyridine-4,5-dicarboxylate
3-Hydroxy-2-methylpyridine-4,5-dicarboxylate
ME117736
54683777
-
9.53
196.0251
Arginyl-Histidine
Arg-His
ME117798
-
-
9.53
310.1639
Desacetyl-nitazoxanide
-
ME117844
394397
-
9.53
264.0128
N-Undecanoylglycine_1
NA-Gly 11:0
ME117972
454092
-
9.53
242.1763
4-Nitrophenol
4-Nitrophenol
ME117767
980
C00870
9.59
138.0197
3-Methoxybenzenepropanoic acid_2
3-Methoxybenzenepropanoic acid
ME117752
66336
-
9.62
179.0713
Dacarbazine_1
Dacarbazine
ME117834
5353562
-
9.62
181.0872
(�)-3-Hydroxynonanoic acid_2
-
ME117688
-
-
9.65
173.1184
2-Furoylglycine
2-Furoylglycine
ME117712
21863
-
9.70
168.0303
Clavulanate
Clavulanate
ME117825
5280980
C06662
9.71
198.0410
Topaquinone_1
Topaquinone
ME118038
123871
-
9.75
210.0410
3-Hydroxycapric acid_3
10-Hydroxydecanoic acid
ME117743
26612
-
9.82
187.1341
3-(3-Hydroxyphenyl)propanoic acid
3-(3-Hydroxyphenyl)propanoic acid
ME117725
91
C11457
9.84
165.0560
Dodecanedioic acid_1
Dodecanedioic acid
ME117858
12736
C02678
9.87
229.1444
9,12,13-TriHOME_2
9,12,13-TriHOME
ME117783
9858729
C14833
9.92
329.2335
3a,7a,12b-Trihydroxy-5b-cholanoic acid
-
ME117728
5283869
-
9.94
407.2798
Lucidenic acid G
-
ME117940
-
-
9.95
475.2681
3-Hydroxycapric acid_1
10-Hydroxydecanoic acid
ME117741
26612
-
9.96
187.1341
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