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Return to study ST000291 main page
Analysis: ESI Positive mode
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
10-Desacetyltaxuyunnanin C
-
ME104202
5460449
C15538
10.5
463.2694
10-Hydroxydecanoic acid
10-Hydroxydecanoic acid
ME104203
74300
C02774
8.95
189.1488
10-Oxodecanoate_1
10-Oxodecanoic acid
ME104204
19734156
C02217
8.7
187.133
10-Oxodecanoate_2
10-Oxodecanoic acid
ME104205
19734156
C02217
7.62
187.1331
11beta,21-Dihydroxy-5beta-pregnane-3,20-dione
11beta,21-Dihydroxy-5beta-pregnane-3,20-dione
ME104206
21145110
C05475
9.27
349.2372
1,1-Dichloroethylene epoxide
-
ME104182
119521
C14857
0.11
112.9559
11-Hydroxycanthin-6-one
Amalorin
ME104207
337601
C09212
8.07
237.0661
11-O-Demethylpradimicinone I
-
ME104208
441170
C06776
0.97
536.119
1-(1-Oxopropyl)-1H-imidazole
N-Propanoylimidazole
ME104176
77770
C03007
0.79
125.0712
1,2,3-Trihydroxybenzene_1
1,2,3-Trihydroxybenzene
ME104183
1057
C01108
7.42
127.0393
1,2,3-Trihydroxybenzene_2
1,2,3-Trihydroxybenzene
ME104184
1057
C01108
3.19
127.0393
1,2,3-Trihydroxybenzene_3
1,2,3-Trihydroxybenzene
ME104185
1057
C01108
0.93
127.0392
1,2,6-Hexanetriol
-
ME104186
7823
C20334
7.01
135.1018
12alpha-Hydroxyamoorstatin
-
ME104209
5462416
C08767
7.12
267.1231
1,2-Diamino-4-nitrobenzene_1
-
ME104187
5111791
C19384
6.92
154.0611
1,2-Diamino-4-nitrobenzene_2
-
ME104188
5111791
C19384
1.71
154.0612
1,2-Diamino-4-nitrobenzene_3
-
ME104189
5111791
C19384
8.39
154.0614
1,2-Dihydrosantonin_1
1,2-Dihydrosantonin
ME104190
-
C02771
10.42
249.1484
1,2-Dihydrosantonin_2
1,2-Dihydrosantonin
ME104191
-
C02771
9.32
249.1484
1,2-Dihydroxy-5-(methylthio)pent-1-en-3-one
1,2-Dihydroxy-3-keto-5-methylthiopentene
ME104192
5462190
C15606
3.17
163.0424
1,2-Dihydroxydibenzothiophene
1,2-Dihydroxydibenzothiophene
ME104193
441151
C06722
6.87
217.0328
12-Hydroxydodecanoic acid_1
12-Hydroxy lauric acid
ME104210
79034
C08317
12.69
217.1799
12-Hydroxydodecanoic acid_2
12-Hydroxy lauric acid
ME104211
79034
C08317
10.76
217.1801
1,3,7-Trimethyluric acid
1,3,7-Trimethyluric acid
ME104194
79437
C16361
7.62
211.0826
1,3,8-Naphthalenertriol_1
Naphthalene-1,3,8-triol
ME104195
439428
C01173
8.53
177.0547
1,3,8-Naphthalenertriol_2
Naphthalene-1,3,8-triol
ME104196
439428
C01173
12.53
177.0548
1,3,8-Naphthalenertriol_3
Naphthalene-1,3,8-triol
ME104197
439428
C01173
9.94
177.0547
1,3-Dichloro-2-propanol
-
ME104198
7289
C14399
2.02
128.9874
1,4-Naphthoquinone
Naphthoquinone
ME104199
8530
C02617
3.89
159.0437
1,5-Naphthalene diisocyanate
-
ME104200
18503
C19464
8.4
211.0496
1-(5'-Phosphoribosyl)-5-amino-4-imidazolecarboxami...
AICAR
ME104177
65110
C04677
7.77
339.0698
1-(5'-Phosphoribosyl)-5-formamido-4-imidazolecarbo...
-
ME104178
166760
C04734
7.59
367.0637
(15S)-15-Hydroxy-5,8,11-cis-13-trans-eicosatetraen...
15S-HETE
ME104137
5280724
C04742
10.69
321.2421
17beta-Methylestra-1,3,5(10)-trien-3-ol
17beta-Methylestra-1,3,5(10)-trien-3-ol
ME104212
11954100
C15020
9.85
271.2058
1,8-Diazacyclotetradecane-2,9-dione
1,8-Diazacyclotetradecane-2,9-dione
ME104201
16
C04277
7.35
227.1753
1'-Acetoxychavicol acetate_1
-
ME104213
119104
C10426
11.19
235.0966
1'-Acetoxychavicol acetate_2
-
ME104214
119104
C10426
10.14
235.0964
1-Aminocyclopropane-1-carboxylate_1
1-Aminocyclopropanecarboxylic acid
ME104215
535
C01234
9.97
102.0556
1-Aminocyclopropane-1-carboxylate_2
1-Aminocyclopropanecarboxylic acid
ME104216
535
C01234
7.92
102.0556
1-(beta-D-Ribofuranosyl)-1,4-dihydronicotinamide
1-(beta-D-Ribofuranosyl)-1,4-dihydronicotinamide
ME104179
11507134
C15497
6.13
257.113
1-Hydroxy-2-methyl-2-butenyl 4-diphosphate
-
ME104217
5281976
C11811
4.38
263.0077
1-Methyladenosine
1-Methyladenosine
ME104218
27476
C02494
3.77
282.1197
1-(Methylnitrosoamino)-4-(3-pyridinyl)-1,4-butaned...
-
ME104180
53297440
C19577
7.28
226.1186
1-(Methylnitrosoamino)-4-(3-pyridinyl)-1,4-butaned...
-
ME104181
53297440
C19577
3.59
226.1186
1-Naphthaleneacetic acid sodium salt
-
ME104219
23694671
C18534
7.92
209.0567
1-Octanal_1
Caprylaldehyde
ME104220
454
C01545
12.47
129.1276
1-Octanal_2
Caprylaldehyde
ME104221
454
C01545
7.85
129.1277
1-Octanal_3
Caprylaldehyde
ME104222
454
C01545
8.94
129.1277
1-Octanal_4
Caprylaldehyde
ME104223
454
C01545
10.81
129.1276
1-Phenyl-5-mercaptotetrazole
-
ME104224
690730
C15415
1.43
179.0377
1-Phenylethylamine
-
ME104225
7408
C02455
7.2
122.0967
1-Pyrenylsulfate_1
-
ME104226
9543289
C18269
4.13
150.0226
1-Pyrenylsulfate_2
-
ME104227
9543289
C18269
5.31
150.0227
1-Pyrroline-2-carboxylate
1-Pyrroline-2-carboxylic acid
ME104228
440046
C03564
1.95
114.0557
(1-Ribosylimidazole)-4-acetate_1
Imidazoleacetic acid riboside
ME104138
440569
C05131
1.42
259.0924
(1-Ribosylimidazole)-4-acetate_2
Imidazoleacetic acid riboside
ME104139
440569
C05131
3.43
259.0925
(1S,3R)-3-(2,2-Dichloroethenyl)-2,2-dimethylcyclop...
-
ME104140
41539
C19844
1.99
209.014
21-Hydroxypregn-4-ene-3,20-dione hydrogen succinat...
-
ME104268
112092
C15425
10.91
431.2436
2,2-Dichloro-1,1-ethanediol
-
ME104237
85275
C14860
0.67
130.9654
2-(2'-Methylthio)ethylmalic acid
-
ME104229
24883456
C17210
4.03
209.048
2,3,5-Trihydroxytoluene
2,3,5-Trihydroxytoluene
ME104238
13026
C03338
7.34
141.0547
2,3,6-Trihydroxypyridine
2,3,6-Trihydroxypyridine
ME104239
440020
C03458
1.12
128.0347
2,3-Dehydro-UWM6
-
ME104240
25195328
C18679
10.17
325.1073
2,3-Dihydrothienamycin
-
ME104241
92042763
C20820
8.12
275.1057
2,3-Dihydroxycyclopentaneundecanoic acid
-
ME104242
243756
C14987
10.71
287.2219
2,3-Dihydroxy-p-cumate_1
-
ME104243
54675852
C06580
9.21
197.081
2,3-Dihydroxy-p-cumate_2
-
ME104244
54675852
C06580
10.16
197.081
2,3-Dihydroxy-p-cumate_3
-
ME104245
54675852
C06580
7.69
197.0808
2,3-Dimethylmaleate_1
Dimethyl maleate
ME104246
3032309
C00922
4.57
145.0496
2,3-Dimethylmaleate_2
Dimethyl maleate
ME104247
3032309
C00922
3.16
145.0496
2,3-Dimethylmaleate_3
Dimethyl maleate
ME104248
3032309
C00922
7.5
145.0492
2-[3-Ethyl-5-(4-methoxyphenyl)-1H-pyrazol-4-yl]phe...
-
ME104267
257428
C15193
9.32
295.1443
2-(3'-Methylthio)propylmalic acid_1
2-(3-Methylthiopropyl)malic acid
ME104230
24883455
C17214
14.93
223.0635
2-(3'-Methylthio)propylmalic acid_2
2-(3-Methylthiopropyl)malic acid
ME104231
24883455
C17214
11.29
223.0636
2-(3'-Methylthio)propylmalic acid_3
2-(3-Methylthiopropyl)malic acid
ME104232
24883455
C17214
15.8
223.0635
2-(3'-Methylthio)propylmalic acid_4
2-(3-Methylthiopropyl)malic acid
ME104233
24883455
C17214
14.02
223.0635
2,4,6-Trihydroxybenzophenone
2,4,6-Trihydroxybenzophenone
ME104249
77093
C06356
4.5
231.0654
2,4-Bis(acetamido)-2,4,6-trideoxy-beta-L-altropyra...
-
ME104250
56927717
C19972
6.01
247.1287
2,4-Bis(acetamido)-2,4,6-trideoxy-beta-L-altropyra...
-
ME104251
56927717
C19972
6.94
247.1287
2,4-DB
4-(2,4-dichlorophenoxy)butanoic acid
ME104252
1489
C14404
8.61
249.0084
2,4-Diamino-6-nitrotoluene
-
ME104253
96177
C16396
5.73
168.076
2,4-Dihydroxypteridine
Lumazine
ME104254
10250
C03212
3.75
165.0409
2,4-Dinitrotoluene
2,4-Dinitrotoluene
ME104255
8461
C11006
6.14
183.0402
2,4-DP
Dichlorprop
ME104256
8427
C11020
8.07
234.9926
2,5-Dihydroxypyridine_1
-
ME104257
99456
C01059
1.73
112.0398
2,5-Dihydroxypyridine_2
-
ME104258
99456
C01059
2.54
112.0398
2,5-Dioxopentanoate_1
-
ME104259
21872870
C00433
1.65
131.0342
2,5-Dioxopentanoate_2
-
ME104260
21872870
C00433
4.26
131.0342
2,5-Furandicarboxylate_1
-
ME104261
76720
C20450
2.04
157.0136
2,5-Furandicarboxylate_2
-
ME104262
76720
C20450
3.06
157.0136
2,5-Furandicarboxylate_3
-
ME104263
76720
C20450
1.19
157.013
2,5-Furandicarboxylate_4
-
ME104264
76720
C20450
7.17
157.0132
2-(6'-Methylthio)hexylmalic acid
-
ME104234
44237240
C17226
1.83
265.1117
2,7-Anhydro-alpha-N-acetylneuraminic acid_1
N-Acetyl-2,7-anhydro-alpha-neuraminic acid
ME104265
440369
C04521
7.21
292.1025
2,7-Anhydro-alpha-N-acetylneuraminic acid_2
N-Acetyl-2,7-anhydro-alpha-neuraminic acid
ME104266
440369
C04521
10.27
292.1027
2-(Acetamidomethylene)succinate
-
ME104235
21158439
C01215
3.02
188.0544
2-Aceto-2-hydroxybutanoate
2-Acetolactate
ME104269
21
C00659
0.94
147.0653
2-Acetoxyamino-1-methyl-6-phenylimidazo[4,5-b]pyri...
-
ME104270
25092289
C20287
9.18
283.1181
2-Amino-3,7-dideoxy-D-threo-hept-6-ulosonic acid
-
ME104271
25137912
C16850
2.75
192.0868
2-Amino-4-chloro-4-pentenoic acid
-
ME104272
228810
C04075
5.91
150.0311
2-Amino-4-hydroxy-6-(D-erythro-1,2,3-trihydroxypro...
7,8-Dihydroneopterin
ME104273
65074
C04874
1.59
256.1037
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquin...
-
ME104274
25
C05253
9.58
290.1093
2-Amino-5-(5-nitro-2-furyl)-1,3,4-thiadiazole
-
ME104275
61205
C19189
6.39
213.0084
2-Amino-5-chlorophenol
-
ME104276
91591
C20669
8.23
144.0208
2-Amino-5-phosphopentanoic acid
-
ME104277
1216
C13734
2.85
198.0527
2-Amino-9,10-epoxy-8-oxodecanoic acid
2-Amino-9,10-epoxy-8-oxodecanoic acid
ME104278
443587
C12027
2.92
216.1232
2-Aminoadenosine
2-Aminoadenosine
ME104279
72200
C00939
8.22
283.1155
2-Aminobenzenesulfonate
2-Aminobenzenesulfonic acid
ME104280
6926
C06333
7.15
174.0221
2-Aminomuconate
2-Aminomuconic acid
ME104281
20849110
C02220
1.08
158.0448
2-Aminomuconate semialdehyde
-
ME104282
5280625
C03824
3.99
142.0502
2-Aminophenol_1
2-Aminophenol
ME104283
5801
C01987
1.52
110.0606
2-Aminophenol_2
2-Aminophenol
ME104284
5801
C01987
2.66
110.0606
2-Aminophenol_3
2-Aminophenol
ME104285
5801
C01987
6.47
110.0605
2-deoxy-D-galactose (fructose/glucose)
-
ME104286
-
-
0.97
163.0602
2-Dimethylamino-5,6-dimethylpyrimidin-4-ol
2-(Dimethylamino)-5,6-dimethylpyrimidin-4-ol
ME104287
93225
C10916
3.14
168.1133
2-Ethylhexyl phthalate_1
Monoethylhexyl phthalic acid
ME104288
-
C03343
14.83
279.1589
2-Ethylhexyl phthalate_2
Monoethylhexyl phthalic acid
ME104289
-
C03343
13.66
279.1589
2-Ethylhexyl phthalate_3
Monoethylhexyl phthalic acid
ME104290
-
C03343
9.74
279.159
2-Ethylhexyl phthalate_4
Monoethylhexyl phthalic acid
ME104291
-
C03343
11.38
279.1589
2-Furoate
2-Furoic acid
ME104292
5460151
C01546
3.69
113.0239
2-Heptanone_1
2-Heptanone
ME104293
8051
C08380
10.29
115.1121
2-Heptanone_2
2-Heptanone
ME104294
8051
C08380
8.27
115.1121
2-Hydroxy-1,4-benzoquinone_1
-
ME104295
151011
C07103
6.45
125.0236
2-Hydroxy-1,4-benzoquinone_2
-
ME104296
151011
C07103
8.73
125.0236
2-Hydroxy-2,4-pentadienoate
2-Hydroxypenta-2,4-dienoic acid
ME104297
54675827
C00596
6.24
115.0393
2-Hydroxy-6-oxo-6-(2-hydroxyphenoxy)-hexa-2,4-dien...
-
ME104298
54675786
C07734
3.24
251.0541
2-Hydroxycyclohexan-1-one_1
2-Hydroxycyclohexan-1-one
ME104299
10785
C01147
6.92
115.0758
2-Hydroxycyclohexan-1-one_2
2-Hydroxycyclohexan-1-one
ME104300
10785
C01147
8.03
115.0757
2-Hydroxycyclohexan-1-one_3
2-Hydroxycyclohexan-1-one
ME104301
10785
C01147
0.99
115.0747
2-Hydroxyethylphosphonate
2-Hydroxyethylphosphonic acid
ME104302
89954
C06451
2.64
127.0158
2-Hydroxyfelbamate_1
2-Hydroxyfelbamate
ME104303
10400039
C16582
6.97
255.0976
2-Hydroxyfelbamate_2
2-Hydroxyfelbamate
ME104304
10400039
C16582
1.22
255.0975
2-(Hydroxymethyl)-3-(acetamidomethylene)succinate
-
ME104236
9548691
C04690
10.68
218.0659
2-Hydroxymethylclavam
-
ME104305
3050259
C17357
3.79
144.0657
2-Hydroxymuconate semialdehyde_1
-
ME104306
5280366
C00682
2.64
143.034
2-Hydroxymuconate semialdehyde_2
-
ME104307
5280366
C00682
6.32
143.0341
2-Iodophenol methyl ether
-
ME104308
68257
C03575
0.62
234.9607
2-Isopropylmaleate_1
Isopropylmaleate
ME104309
5280533
C02631
7.35
159.0653
2-Isopropylmaleate_2
Isopropylmaleate
ME104310
5280533
C02631
6.36
159.0653
2-Maleylacetate
Maleylacetic acid
ME104311
5280500
C02222
9.16
159.029
2-Methyl-3-hydroxy-5-formylpyridine-4-carboxylate
2-Methyl-3-hydroxy-5-formylpyridine-4-carboxylate
ME104312
440898
C06050
2.75
182.0452
2-Methyl-4-chlorophenoxybutyric acid
-
ME104313
7207
C18529
6.3
229.063
2-Methylpropanamine
-
ME104314
6558
C02787
0.02
74.0972
2-Naphthol
2-Naphthol
ME104315
8663
C11713
10.21
145.065
2-Naphthylamine
2-Aminonaphthalene
ME104316
7057
C02227
8.19
144.081
2-Nitrofluorene
2-Nitrofluorene
ME104317
11831
C10923
9.34
212.0701
2-Oxo-6-methylthiohexanoic acid
-
ME104318
22266653
C17216
1.58
177.0587
2-Oxo-8-methylthiooctanoic acid
-
ME104319
44237313
C17224
8.85
205.089
2-Oxoadipate_1
Oxoadipic acid
ME104320
71
C00322
3.31
161.0445
2-Oxoadipate_2
Oxoadipic acid
ME104321
71
C00322
1.14
161.0446
2-Oxoadipate_3
Oxoadipic acid
ME104322
71
C00322
4.69
161.0445
2-Oxobutanoate_1
3-Methyl pyruvic acid
ME104323
58
C00109
1.06
103.0396
2-Oxobutanoate_2
3-Methyl pyruvic acid
ME104324
58
C00109
3.13
103.0395
2-Oxoglutaramate
2-Keto-glutaramic acid
ME104325
48
C00940
1.14
146.0447
2-Oxoglutarate
2-Oxoglutaric acid
ME104326
51
C00026
2.02
147.0288
2-Oxooctadecanoic acid_1
2-Oxo-octadecanoic acid
ME104327
439332
C00869
13.06
299.2583
2-Oxooctadecanoic acid_2
2-Oxo-octadecanoic acid
ME104328
439332
C00869
15.07
299.2583
2-Oxopropyl-CoM
2-Oxopropyl-CoM
ME104329
443231
C11497
5.86
199.009
2-Oxosuberate_1
-
ME104330
146903
C16589
7.47
189.076
2-Oxosuberate_2
-
ME104331
146903
C16589
6.66
189.0759
2-Pyridyl hydroxymethane sulfonic acid_1
2-Pyridyl hydroxymethane sulfonic acid
ME104332
443125
C11327
4.37
190.0178
2-Pyridyl hydroxymethane sulfonic acid_2
2-Pyridyl hydroxymethane sulfonic acid
ME104333
443125
C11327
7.83
190.0172
2-Thiophenesulfonamide
-
ME104334
72881
C14764
0.11
163.9839
2-trans,6-trans-Farnesal_1
(2-trans,6-trans)-Farnesal
ME104335
5280598
C03461
9.41
221.1902
2-trans,6-trans-Farnesal_2
(2-trans,6-trans)-Farnesal
ME104336
5280598
C03461
8.25
221.1898
2-trans,6-trans-Farnesal_3
(2-trans,6-trans)-Farnesal
ME104337
5280598
C03461
10.9
221.1902
3-(2-Hydroxyphenyl)propanoate_1
3-(2-Hydroxyphenyl)propanoic acid
ME104338
6930705
C01198
13.51
167.0705
3-(2-Hydroxyphenyl)propanoate_2
3-(2-Hydroxyphenyl)propanoic acid
ME104339
6930705
C01198
2.74
167.0698
3-(2-Hydroxyphenyl)propanoate_3
3-(2-Hydroxyphenyl)propanoic acid
ME104340
6930705
C01198
9.69
167.0704
3-(2-Hydroxyphenyl)propanoate_4
3-(2-Hydroxyphenyl)propanoic acid
ME104341
6930705
C01198
6.11
167.0703
3-(3,4-Dichlorophenyl)-1-hydroxy-1-methylurea
-
ME104342
11954136
C15250
2.03
235.0028
3-[(3aS,4S,7aS)-7a-Methyl-1,5-dioxo-octahydro-1H-i...
-
ME104361
15944652
C20199
13.25
239.1276
3-[(3aS,4S,7aS)-7a-Methyl-1,5-dioxo-octahydro-1H-i...
-
ME104362
15944652
C20199
8.81
239.1274
3-[(3aS,4S,7aS)-7a-Methyl-1,5-dioxo-octahydro-1H-i...
-
ME104363
15944652
C20199
9.71
239.1272
3,3'-Dimethoxybenzidine-4,4'-diisocyanate
-
ME104350
7069
C19403
8.14
297.0878
3,4-Dihydroxy-3,4-dihydro-9-fluorenone
3,4-Dihydroxy-3,4-dihydro-9-fluorenone
ME104351
441320
C07722
11.4
215.0704
3,4-Dihydroxy-L-phenylalanine
DOPA
ME104352
6047
C00355
7.8
198.0762
3,4-Dihydroxymandelate
3,4-Dihydroxymandelic acid
ME104353
85782
C05580
7.2
185.0447
3,4-Dihydroxyphenylethyleneglycol
3,4-Dihydroxyphenylglycol
ME104354
91528
C05576
7.36
171.0646
3-(4-Hydroxyphenyl)lactate
Hydroxyphenyllactic acid
ME104343
9378
C03672
7.91
183.0654
3-(4-Hydroxyphenyl)pyruvate_1
4-Hydroxyphenylpyruvic acid
ME104344
979
C01179
5.49
181.0496
3-(4-Hydroxyphenyl)pyruvate_2
4-Hydroxyphenylpyruvic acid
ME104345
979
C01179
6.35
181.0497
3-(4-Hydroxyphenyl)pyruvate_3
4-Hydroxyphenylpyruvic acid
ME104346
979
C01179
8.71
181.0495
3,4-Methylenedioxymethamphetamine
3,4-Methylenedioxymethamphetamine
ME104355
1615
C07577
6.7
194.1177
3',5'-Cyclic AMP
3',5' cyclic AMP
ME104356
6076
C00575
6.3
330.0597
3',5'-Cyclic GMP
3',5' cyclic GMP
ME104357
24316
C00942
6.47
346.0546
3',5'-Cyclic IMP
3',5' cyclic IMP
ME104358
19069
C00943
1.48
331.0451
3,5-Dichloro-4-hydroxyphenylpyruvate
3,5-Dichloro-4-hydroxyphenylpyruvate
ME104359
440297
C04323
6.14
248.9715
3,9-Dihydroxypterocarpan
(6aR,11aR)-3,9-Dihydroxypterocarpan
ME104360
162933
C04271
8.94
257.0811
3alpha,7alpha-Dihydroxy-12-oxo-5beta-cholanate_1
-
ME104364
439472
C01292
15.36
407.2796
3alpha,7alpha-Dihydroxy-12-oxo-5beta-cholanate_2
-
ME104365
439472
C01292
10.88
407.2796
3-AMINOISOBUTANOATE
3-Aminoisobutanoic acid
ME104366
64956
C05145
0.98
104.0712
(3-Arylcarbonyl)-alanine
-
ME104141
412786
C03450
8.65
194.0814
3beta-(Acetyloxy)-5beta-methyl-6beta-chloroestr-9-...
-
ME104367
247856
C14957
15.92
365.1887
3-Butylidene-7-hydroxyphthalide_1
Phthalide
ME104368
5281559
C09921
14.83
205.0862
3-Butylidene-7-hydroxyphthalide_2
Phthalide
ME104369
5281559
C09921
10.89
205.0862
3-Butyn-1-ol
-
ME104370
13566
C06146
7.35
71.05
3-Dehydroquinate_1
3-Dehydroquinate
ME104371
439351
C00944
2.64
191.055
3-Dehydroquinate_2
3-Dehydroquinate
ME104372
439351
C00944
4.01
191.055
3-Dehydroshikimate_1
3-Dehydroshikimate
ME104373
439774
C02637
2.63
173.0447
3-Dehydroshikimate_2
3-Dehydroshikimate
ME104374
439774
C02637
4.94
173.0436
3'-Demethylstaurosporine
-
ME104375
21581287
C07349
10.48
227.099
3-Dimethylallyl-4-hydroxymandelic acid
-
ME104376
443851
C12457
10.53
237.1119
3-(Dimethylamino)propyl benzoate
3-(Dimethylamino)propyl benzoate
ME104347
2249229
C14168
7.18
208.1332
(3E)-4-(2-Carboxyphenyl)-2-oxobut-3-enoate
-
ME104142
16730035
C01275
8.68
221.0438
3-Ethoxyandrosta-3,5-dien-17beta-ol propanoate
-
ME104377
251872
C15057
10.08
373.2738
3-Fluoro-1-(4-hydroxyphenyl)-1-propanone
-
ME104378
248906
C15075
8.61
169.0669
3-Fluoro-cis,cis-muconate
-
ME104379
9543395
C16474
2.15
161.0247
3-Fluorocyclohexadiene-cis,cis-1,2-diol-1-carboxyl...
-
ME104380
9543397
C16478
6.34
175.0405
3-Fluorocyclohexadiene-cis,cis-1,2-diol-1-carboxyl...
-
ME104381
9543397
C16478
3.77
175.0401
3-Fluorocyclohexadiene-cis,cis-1,2-diol-1-carboxyl...
-
ME104382
9543397
C16478
4.65
175.0402
3-Fluoro-D-alanine
-
ME104383
439775
C02638
7.81
108.0448
3-HYDROXY-3-METHYLGLUTARATE
3-Hydroxymethylglutaric acid
ME104384
1662
C03761
3.14
185.042
3-Hydroxyanthranilate
3-Hydroxyanthranilic acid
ME104385
86
C00632
5.45
154.05
3''-Hydroxy-geranylhydroquinone
-
ME104386
25244947
C18132
10.17
263.1643
3-Hydroxyhexobarbital_1
3'-Hydroxyhexobarbital
ME104387
439898
C03068
7.32
253.1183
3-Hydroxyhexobarbital_2
3'-Hydroxyhexobarbital
ME104388
439898
C03068
8.71
253.1184
3-Hydroxykynurenamine
3-Hydroxykynurenamine
ME104389
440736
C05636
8.05
181.0967
3-HYDROXYKYNURENINE
Hydroxykynurenine
ME104390
89
C03227
3.36
225.087
3-Hydroxy-L-glutamate
3-Hydroxyglutamic acid
ME104391
5460801
C03066
1.78
164.0544
3-(Imidazol-4-yl)-2-oxopropyl phosphate_1
Imidazole acetol-phosphate
ME104348
792
C01267
4.24
221.0333
3-(Imidazol-4-yl)-2-oxopropyl phosphate_2
Imidazole acetol-phosphate
ME104349
792
C01267
5.15
221.0332
3-Isopropylcatechol
3-Isopropylcatechol
ME104392
16498
C01014
7.51
153.0912
3-Mercaptolactate
-
ME104393
9833951
C05823
2.05
123.0115
3-Methoxybenzyl alcohol_1
3-Methoxybenzyl alcohol
ME104394
81437
C03352
6.17
139.0755
3-Methoxybenzyl alcohol_2
3-Methoxybenzyl alcohol
ME104395
81437
C03352
2.03
139.0755
3-Methoxybenzyl alcohol_3
3-Methoxybenzyl alcohol
ME104396
81437
C03352
7.27
139.0755
3-Methoxybenzyl alcohol_4
3-Methoxybenzyl alcohol
ME104397
81437
C03352
5.08
139.0755
3-Methyl-19-nor-17alpha-pregna-1,3,5(10)-trien-17-...
-
ME104398
253758
C15117
10.35
299.2371
3-Methyl-2-oxobutanoic acid_1
Ketoisovaleric acid
ME104399
49
C00141
1.17
117.0548
3-Methyl-2-oxobutanoic acid_2
Ketoisovaleric acid
ME104400
49
C00141
6.31
117.055
3-Methyladenine_1
3-Methyladenine
ME104401
1673
C00913
3.84
150.0776
3-Methyladenine_2
3-Methyladenine
ME104402
1673
C00913
1.58
150.0776
3-Methylbutanamine
3-Methyl-1-butylamine
ME104403
7894
C02640
6.18
88.1128
3-Methyl-cis,cis-hexadienedioate_1
-
ME104404
5280648
C04112
7.14
157.0496
3-Methyl-cis,cis-hexadienedioate_2
-
ME104405
5280648
C04112
8.77
157.0495
3-Methyleneoxindole_1
3-Methyleneoxindole
ME104406
150946
C02796
7.1
146.0602
3-Methyleneoxindole_2
3-Methyleneoxindole
ME104407
150946
C02796
9.86
146.0602
3-Methylguanine_1
3-Methylguanine
ME104408
76292
C02230
2.72
166.0724
3-Methylguanine_2
3-Methylguanine
ME104409
76292
C02230
3.64
166.0724
3-Methylguanine_3
3-Methylguanine
ME104410
76292
C02230
6.79
166.0724
3-METHYLHISTAMINE
3-Methylhistamine
ME104411
69520
-
0.73
126.1029
3-Nitrofluoranthene
-
ME104412
13462
C14406
8.25
248.0718
3-Oxo-delta4-steroid
Androst-4-en-3-one
ME104413
439274
C00619
10.87
273.2212
3-Oxododecanoic acid_1
3-Oxododecanoic acid
ME104414
439717
C02367
11.4
215.1641
3-Oxododecanoic acid_2
3-Oxododecanoic acid
ME104415
439717
C02367
13.17
215.1642
3-Oxododecanoic acid_3
3-Oxododecanoic acid
ME104416
439717
C02367
10.09
215.1642
3-Phosphonooxypyruvate
Phosphohydroxypyruvic acid
ME104417
5460375
C03232
0.11
184.9855
(3S,5S)-Carbapenam-3-carboxylic acid_1
(3S,5S)-Carbapenam-3-carboxylic acid
ME104143
6337945
C17367
3.48
156.0656
(3S,5S)-Carbapenam-3-carboxylic acid_2
(3S,5S)-Carbapenam-3-carboxylic acid
ME104144
6337945
C17367
2.06
156.0657
(3S,5S)-Carbapenam-3-carboxylic acid_3
(3S,5S)-Carbapenam-3-carboxylic acid
ME104145
6337945
C17367
6.64
156.0656
3-Sulfocatechol
3-Sulfocatechol
ME104418
9543247
C06336
1.73
191.0008
3-Sulfomuconate
-
ME104419
9543213
C06675
4.25
222.9908
3-UREIDOPROPIONATE
Ureidopropionic acid
ME104420
111
C02642
1.27
133.061
4-(2-Aminophenyl)-2,4-dioxobutanoate_1
4-(2-Aminophenyl)-2,4-dioxobutanoic acid
ME104421
472
C01252
7.98
208.0607
4-(2-Aminophenyl)-2,4-dioxobutanoate_2
4-(2-Aminophenyl)-2,4-dioxobutanoic acid
ME104422
472
C01252
8.91
208.0606
4-(3-Methylbut-2-enyl)-L-tryptophan
-
ME104423
25200966
C04290
10.27
273.1598
4',5,6,7-Tetramethoxyflavone
-
ME104428
96118
C14472
10.25
343.1177
4,5-Methylenedioxy-6-hydroxyaurone_1
Cephalocerone
ME104429
5281293
C08722
7.4
142.0339
4,5-Methylenedioxy-6-hydroxyaurone_2
Cephalocerone
ME104430
5281293
C08722
8.79
283.0603
4-Acetamido-2-amino-6-nitrotoluene
-
ME104432
9543177
C16420
2.13
210.0872
4-ACETAMIDOBUTANOATE
4-Acetamidobutanoic acid
ME104433
18189
C02946
3.64
168.0632
4-Acetamidobutanoate_1
4-Acetamidobutanoic acid
ME104434
6991994
C02946
3.65
146.0812
4-Acetamidobutanoate_2
4-Acetamidobutanoic acid
ME104435
6991994
C02946
0.82
146.0813
4-Acetamidobutanoate_3
4-Acetamidobutanoic acid
ME104436
6991994
C02946
2.25
146.0812
4a-Hydroxytetrahydrobiopterin
4a-Hydroxytetrahydrobiopterin
ME104437
129803
C15522
2.63
258.1198
4-Amino-1-piperidinecarboxylic acid
4-Amino-1-piperidinecarboxylic acid
ME104438
445262
C16837
2.02
145.0972
4-Amino-2-hydroxylamino-6-nitrotoluene
-
ME104439
9543061
C16403
4.24
184.0718
4-Amino-4-deoxychorismate_1
4-Amino-4-deoxychorismic acid
ME104440
6857399
C11355
7.7
226.071
4-Amino-4-deoxychorismate_2
4-Amino-4-deoxychorismic acid
ME104441
6857399
C11355
2.23
226.0717
4-Amino-4-deoxychorismate_3
4-Amino-4-deoxychorismic acid
ME104442
6857399
C11355
8.75
226.071
4-Amino-5-hydroxymethyl-2-methylpyrimidine_1
4-Amino-5-hydroxymethyl-2-methylpyrimidine
ME104443
777
C01279
6.32
140.0818
4-Amino-5-hydroxymethyl-2-methylpyrimidine_2
4-Amino-5-hydroxymethyl-2-methylpyrimidine
ME104444
777
C01279
2.16
140.0819
4-Amino-5-hydroxymethyl-2-methylpyrimidine_3
4-Amino-5-hydroxymethyl-2-methylpyrimidine
ME104445
777
C01279
5.37
140.082
4-Aminobiphenyl
4-Aminobiphenyl
ME104446
7102
C10998
13.81
170.0963
4-(beta-Acetylaminoethyl)imidazole_1
N-Acetylhistamine
ME104424
69602
C05135
1.64
154.0976
4-(beta-Acetylaminoethyl)imidazole_2
N-Acetylhistamine
ME104425
69602
C05135
7.24
154.0974
4-(beta-Acetylaminoethyl)imidazole_3
N-Acetylhistamine
ME104426
69602
C05135
3.7
154.0976
4-Bromophenylthiourea_1
4-Bromophenylthiourea
ME104447
2735620
C14644
2.77
230.9585
4-Bromophenylthiourea_2
4-Bromophenylthiourea
ME104448
2735620
C14644
1.42
230.9585
4-Chlorobiphenyl
4-Chlorobiphenyl
ME104449
16323
C06584
0.81
189.0471
4-Chlorophenoxyacetate
-
ME104450
3794534
C07088
0.05
187.0165
4-COUMARATE
cis-p-Coumaric acid
ME104451
637542
C06738
8.24
163.0392
4'-Demethyldeoxypodophyllotoxin
-
ME104452
160705
C10552
6.78
385.1264
4-Dimethylallyl-L-abrine
4-(3-Methylbut-2-enyl)-L-abrine
ME104453
68294649
C20410
10.54
287.1758
4-Fluorocyclohexadiene-cis,cis-1,2-diol_1
-
ME104454
11829464
C16483
9.49
131.0494
4-Fluorocyclohexadiene-cis,cis-1,2-diol_2
-
ME104455
11829464
C16483
6.36
131.0493
4-GUANIDINOBUTANOATE
4-Guanidinobutanoic acid
ME104456
500
C01035
1.69
146.0925
4-Heptyloxybenzoic acid_1
-
ME104457
85154
C14274
10.65
237.1486
4-Heptyloxybenzoic acid_2
-
ME104458
85154
C14274
9.06
237.1485
4-Heptyloxyphenol_1
4-Heptyloxyphenol
ME104459
25641
C14236
13.19
209.1537
4-Heptyloxyphenol_2
4-Heptyloxyphenol
ME104460
25641
C14236
14.03
209.1537
4-Heptyloxyphenol_3
4-Heptyloxyphenol
ME104461
25641
C14236
9.29
209.1537
4-Heptyloxyphenol_4
4-Heptyloxyphenol
ME104462
25641
C14236
8.31
209.1537
4-Hexyloxyphenol_1
-
ME104463
29354
C14305
9.31
195.1381
4-Hexyloxyphenol_2
-
ME104464
29354
C14305
12.59
195.138
4-Hydroxy-2-butynal
4-Hydroxybut-2-ynal
ME104465
439778
C02648
3.13
85.0291
4-Hydroxy-2-quinolinecarboxylic acid_1
Kynurenic acid
ME104466
3845
C01717
7.82
190.05
4-Hydroxy-2-quinolinecarboxylic acid_2
Kynurenic acid
ME104467
3845
C01717
6.7
190.05
4-Hydroxy-3-nitrosobenzamide
4-Hydroxy-3-nitrosobenzamide
ME104468
443631
C12114
1.54
167.0452
4'-Hydroxy-3'-prenylacetophenone
-
ME104469
442916
C10702
7.62
205.1231
4-Hydroxybenzoate
4-Hydroxybenzoic acid
ME104470
135
C00156
9.57
139.0392
4-Hydroxybutanoic acid_1
4-Hydroxybutyric acid
ME104471
10413
C00989
0.92
105.0551
4-Hydroxybutanoic acid_2
4-Hydroxybutyric acid
ME104472
10413
C00989
2.45
105.0552
4-(Hydroxylamino)-N,N-dimethylaniline
4-(Hydroxylamino)-N,N-dimethylaniline
ME104427
46173248
C19681
1.84
153.1024
4-Hydroxymandelonitrile
4-Hydroxymandelonitrile
ME104473
166768
C00650
6.1
150.0551
4-[(Hydroxymethyl)nitrosoamino]-1-(3-pyridinyl)-1-...
-
ME104431
53297437
C19563
4.29
224.1029
4-Hydroxymethylphenylhydrazine
4-(Hydroxymethyl)phenylhydrazine
ME104474
135538
C03994
1.03
139.0867
4-Hydroxyphenylacetate_1
4-Hydroxyphenyl acetate
ME104475
127
C00642
9.11
153.0548
4-Hydroxyphenylacetate_2
4-Hydroxyphenyl acetate
ME104476
127
C00642
7.66
153.0548
4-IMIDAZOLEACETIC ACID
Imidazoleacetic acid
ME104477
96215
C02835
1
127.0504
4-Imidazolone-5-propanoate
4-Imidazolone-5-propionic acid
ME104478
128
C03680
1.01
157.0609
4-Isopropylbenzaldehyde
Cuminaldehyde
ME104479
326
C06577
10.87
149.0963
4-Ketocyclophosphamide
4-Ketocyclophosphamide
ME104480
33676
C07644
8.05
275.0115
4-Methyl-2-oxopentanoate_1
Ketoleucine
ME104481
70
C00233
3.02
131.0705
4-Methyl-2-oxopentanoate_2
Ketoleucine
ME104482
70
C00233
7.73
131.0705
4-Methylene-L-glutamine_1
4-Methylene-glutamine
ME104483
439401
C01109
4.14
159.0765
4-Methylene-L-glutamine_2
4-Methylene-glutamine
ME104484
439401
C01109
5.33
159.0766
4-Methylthio-2-oxobutanoic acid
2-Oxo-4-methylthiobutanoic acid
ME104485
473
C01180
2.68
149.0259
4-Nitro-6-oxohepta-2,4-dienedioate
-
ME104486
50990930
C20367
0.72
216.0146
4-Nitrocatechol
4-Nitrocatechol
ME104487
3505109
C02235
4.39
156.0295
4-Nitrophenol
4-Nitrophenol
ME104488
980
C00870
1.95
140.0344
4-Nitrophenyl-3-ketovalidamine
-
ME104489
440187
C03995
6.75
297.1081
4-Nitrosobiphenyl
-
ME104490
24971
C20316
6.18
184.0755
4-O-beta-D-Glucosyl-4-hydroxycinnamate
-
ME104491
17756753
C04415
11.23
327.1071
4-Oxocyclohexanecarboxylate_1
-
ME104492
5460131
C03767
8.5
143.0705
4-Oxocyclohexanecarboxylate_2
-
ME104493
5460131
C03767
2.04
143.0704
4-Oxocyclohexanecarboxylate_3
-
ME104494
5460131
C03767
6.54
143.0704
4-Oxocyclohexanecarboxylate_4
-
ME104495
5460131
C03767
1.22
143.0699
4-Oxocyclohexanecarboxylate_5
-
ME104496
5460131
C03767
3.43
143.0704
4-Oxocyclohexanecarboxylate_6
-
ME104497
5460131
C03767
4.64
143.0704
4-Oxoproline_1
4-Oxo-proline
ME104498
107541
C01877
8.07
130.0501
4-Oxoproline_2
4-Oxo-proline
ME104499
107541
C01877
4.15
130.0502
4-Propylphenol_1
4-Propylphenol
ME104500
12580
C14311
8.63
137.0962
4-Propylphenol_2
4-Propylphenol
ME104501
12580
C14311
9.7
137.0962
4-Pyridoxate_1
4-Pyridoxic acid
ME104502
6723
C00847
5.86
184.0605
4-Pyridoxate_2
4-Pyridoxic acid
ME104503
6723
C00847
7.01
184.0606
4-Pyridoxate_3
4-Pyridoxic acid
ME104504
6723
C00847
7.88
184.0606
4-Pyridoxolactone_1
4-Pyridoxolactone
ME104505
151228
C00971
7.83
166.0499
4-Pyridoxolactone_2
4-Pyridoxolactone
ME104506
151228
C00971
6.42
166.0502
4-Pyridoxolactone_3
4-Pyridoxolactone
ME104507
151228
C00971
9.3
166.05
4-Vinylcyclohexene_1
-
ME104508
7499
C19310
8.5
109.1017
4-Vinylcyclohexene_2
-
ME104509
7499
C19310
9.85
109.1018
(4Z,7Z,10Z,13Z,16Z,19Z)-Docosahexaenoic acid ethyl...
-
ME104146
9831416
C16185
10.64
357.2787
5-(2-Hydroxyethyl)-4-methylthiazole
5-(2-Hydroxyethyl)-4-methylthiazole
ME104510
1136
C04294
6.05
144.0468
5-(3'-Carboxy-3'-oxopropenyl)-4,6-dihydroxypicolin...
-
ME104511
54675771
C05641
2.71
254.0298
5-(3-Hydroxy-4-acetoxybut-1-ynyl)-2,2'-bithiophene
-
ME104512
440451
C04711
1.02
147.0188
5,6-Dihydrothymine_1
Dihydrothymine
ME104514
93556
C00906
0.9
129.0662
5,6-Dihydrothymine_2
Dihydrothymine
ME104515
93556
C00906
3.14
129.0662
5,6-Dihydrothymine_3
Dihydrothymine
ME104516
93556
C00906
8.07
129.0662
5,6-DIHYDROURACIL
Dihydrouracil
ME104517
649
C00429
1.43
115.0506
5a,11a-Dehydrochlortetracycline
-
ME104518
54726727
C18298
10.48
477.1038
5-Acetamidopentanoate_1
5-Acetamidovaleric acid
ME104519
439903
C03087
7.16
160.0969
5-Acetamidopentanoate_2
5-Acetamidovaleric acid
ME104520
439903
C03087
3.61
160.097
5-Acetylamino-6-amino-3-methyluracil_1
5-Acetylamino-6-amino-3-methyluracil
ME104521
88299
C16366
1.42
199.0828
5-Acetylamino-6-amino-3-methyluracil_2
5-Acetylamino-6-amino-3-methyluracil
ME104522
88299
C16366
3.79
199.0827
5-Acetylamino-6-amino-3-methyluracil_3
5-Acetylamino-6-amino-3-methyluracil
ME104523
88299
C16366
2.62
199.0828
5-Acetylamino-6-amino-3-methyluracil_4
5-Acetylamino-6-amino-3-methyluracil
ME104524
88299
C16366
6.45
199.0827
5-Acetylamino-6-formylamino-3-methyluracil
5-Acetylamino-6-formylamino-3-methyluracil
ME104525
108214
C16365
3.04
227.0775
5-(alpha-Phenylethyl)semioxamazide
-
ME104513
249877
C15418
7.1
208.1083
5-Amino-4-imidazolecarboxyamide_1
5-Aminoimidazole-4-carboxamide
ME104527
9679
C04051
3.27
127.0618
5-Amino-4-imidazolecarboxyamide_2
5-Aminoimidazole-4-carboxamide
ME104528
9679
C04051
6.72
127.0621
5-Amino-4-imidazole carboxylate
-
ME104526
117
C05516
1.1
128.0459
5-Amino-6-(5'-phosphoribosylamino)uracil
-
ME104529
439462
C01268
7.62
355.0666
5-Aminolevulinate_1
5-Amino-levulinic acid
ME104530
137
C00430
1.95
132.0657
5-Aminolevulinate_2
5-Amino-levulinic acid
ME104531
137
C00430
6.69
132.0657
5-Aminolevulinate_3
5-Amino-levulinic acid
ME104532
137
C00430
9.93
132.0655
5-AMINOLEVULINIC ACID
5-Amino-levulinic acid
ME104533
137
C00430
0.91
132.0658
5-Aminopentanamide
5-Aminopentanamide
ME104534
439358
C00990
0.98
117.1027
5-Carboxy-2-oxohept-3-enedioate
5-Carboxy-2-oxohept-3-enedioate
ME104535
5280642
C04052
4.43
217.0342
5'-Deoxy-5-fluorocytidine_1
-
ME104536
10037499
C16635
10.9
246.0887
5'-Deoxy-5-fluorocytidine_2
-
ME104537
10037499
C16635
4.2
246.0873
5'-DEOXYADENOSINE
5'-Deoxyadenosine
ME104538
439182
C05198
6.17
252.1089
5-exo-Hydroxy-1,2-campholide
5-exo-Hydroxy-1,2-campholide
ME104539
440138
C03843
9.95
185.1174
5-Guanidino-2-oxopentanoate
2-Oxoarginine
ME104540
558
C03771
1.16
174.0875
5-Guanidino-3-methyl-2-oxopentanoate
-
ME104541
46173323
C20234
1.86
188.1032
5-Hydroxyindoleacetate_1
5-Hydroxyindoleacetic acid
ME104542
1826
C05635
8.3
192.0655
5-Hydroxyindoleacetate_2
5-Hydroxyindoleacetic acid
ME104543
1826
C05635
9.44
192.0656
5-Hydroxyindolepyruvate
5-Hydroxyindolepyruvate
ME104544
440742
C05646
9.92
220.0595
5-Hydroxyisourate
5-Hydroxyisouric acid
ME104545
250388
C11821
1.92
185.0307
5-Hydroxy-L-tryptophan_1
5-Hydroxy-tryptophan
ME104546
439280
C00643
3.97
221.0921
5-Hydroxy-L-tryptophan_2
5-Hydroxy-tryptophan
ME104547
439280
C00643
6.85
221.0921
5-Hydroxy-L-tryptophan_3
5-Hydroxy-tryptophan
ME104548
439280
C00643
2.28
221.0922
5-Hydroxymethyluracil
5-Hydroxymethyluracil
ME104549
78168
C03088
2.03
143.0453
5-Hydroxypentanoate_1
5-Hydroxyvaleric acid
ME104550
5459830
C02804
4.26
119.0707
5-Hydroxypentanoate_2
5-Hydroxyvaleric acid
ME104551
5459830
C02804
5.96
119.0707
5-L-Glutamyl-taurine
5-L-Glutamyl-taurine
ME104552
68759
C05844
4.49
255.0651
5-Methyl-2'-deoxycytidine
5-Methyl-2'-deoxycytidine
ME104553
440055
C03592
4.7
242.1135
5-Methylcytosine_1
5-Methylcytosine
ME104554
65040
C02376
1.15
126.0665
5-Methylcytosine_2
5-Methylcytosine
ME104555
65040
C02376
2.83
126.0665
5-METHYLCYTOSINE HYDROCLORIDE
5-Methylcytosine
ME104556
65040
C02376
1.99
126.0663
5-Methyldeoxycytidine diphosphate
-
ME104557
25202224
C04187
7.93
201.527
5'-Methylthioadenosine
5'-Methylthioadenosine
ME104558
439176
C00170
7.43
298.0968
5-Methylthio-D-ribose
5-Methylthioribose
ME104559
10313378
C03089
1.24
181.053
5-Nitro-ortho-anisidine_1
2-Methoxy-5-nitroaniline
ME104560
7447
C19469
0.88
169.0604
5-Nitro-ortho-anisidine_2
2-Methoxy-5-nitroaniline
ME104561
7447
C19469
2.74
169.0608
5-Nitro-ortho-anisidine_3
2-Methoxy-5-nitroaniline
ME104562
7447
C19469
6.64
169.0608
5-Nitro-ortho-anisidine_4
2-Methoxy-5-nitroaniline
ME104563
7447
C19469
1.91
169.0605
5-Nitro-ortho-anisidine_5
2-Methoxy-5-nitroaniline
ME104564
7447
C19469
4.85
169.0609
5'-O-beta-D-Glucosylpyridoxine
-
ME104565
440188
C03996
4.36
332.1338
5-Oxo-1,2-campholide
5-Oxo-1,2-campholide
ME104566
439864
C02952
8.42
183.1017
5-OXO-L-PROLINE
Pyroglutamic acid
ME104567
7405
C01879
1.93
130.0502
5-Sulfosalicylate_1
5-Sulfosalicylic acid
ME104568
7322
C16199
4.24
218.9952
5-Sulfosalicylate_2
5-Sulfosalicylic acid
ME104569
7322
C16199
5.53
218.9951
(+/-)-5-[(tert-Butylamino)-2'-hydroxypropoxy]-1,2,...
-
ME104136
-
C04875
14.31
294.2067
5-Valerolactone_1
5-Valerolactone
ME104570
10953
C02240
4.24
101.0603
5-Valerolactone_2
5-Valerolactone
ME104571
10953
C02240
7.17
101.0604
6-Acetamido-3-oxohexanoate
-
ME104572
5459937
C03682
1.9
188.0917
6-Acetophenazine-1-carboxylic acid
1-Phenazinecarboxylic acid, 6-acetyl-
ME104573
443635
C12120
6.69
267.0775
6alpha-Hydroxycortisol
-
ME104574
254633
C15291
10.72
379.2113
6beta-Hydroxy-17beta-estradiol
6beta-Hydroxyestradiol-17beta
ME104575
440168
C03935
10.55
289.1799
6beta-Hydroxy-D-homo-17a-oxaandrost-4-ene-3,17-dio...
-
ME104576
246484
C14983
11.87
319.1901
6-Carboxy-5,6,7,8-tetrahydropterin
-
ME104577
44123380
C20239
2.71
212.0778
6-Demethylsterigmatocystin
6-Demethylsterigmatocystin
ME104578
5280620
C03683
9.73
311.0555
6-Deoxyjacareubin
6-Deoxyjacareubin
ME104579
5281629
C10059
7.75
156.0493
6-endo-Hydroxycineole_1
6-endo-Hydroxycineole
ME104580
6857383
C03092
12.47
171.138
6-endo-Hydroxycineole_2
6-endo-Hydroxycineole
ME104581
6857383
C03092
8.94
171.138
6-Hydroxyindolelactate
-
ME104582
440750
C05657
8.44
222.076
6-Hydroxypseudooxynicotine_1
6-Hydroxypseudooxynicotine
ME104583
439476
C01297
7.07
195.1131
6-Hydroxypseudooxynicotine_2
6-Hydroxypseudooxynicotine
ME104584
439476
C01297
3.14
195.1129
6-Methoxymellein_1
-
ME104585
83412
C02381
8.26
209.0805
6-Methoxymellein_2
-
ME104586
83412
C02381
4.82
209.0802
6-Methoxytaxifolin
6-Methoxytaxifolin
ME104587
442419
C09770
7.33
168.0423
6-Oxocineole_1
6-Oxocineole
ME104588
112203
C00848
8.71
169.1224
6-Oxocineole_2
6-Oxocineole
ME104589
112203
C00848
10.02
169.1224
(6S,9R)-Vomifoliol_1
(6S,9R)-Vomifoliol
ME104147
5280462
C01760
13.68
225.1486
(6S,9R)-Vomifoliol_2
(6S,9R)-Vomifoliol
ME104148
5280462
C01760
9.2
225.1482
(6Z,9Z,12Z)-Octadecatrienoic acid
gamma-Linolenic acid
ME104149
5280933
C06426
11.41
279.2319
7-Aminocephalosporanic acid
7-Aminocephalosporanic acid
ME104590
441328
C07756
8.5
273.0545
7-Aminomethyl-7-carbaguanine
7-Aminomethyl-7-carbaguanine
ME104591
171
C16675
7.11
180.0881
7-Deoxyloganetin
-
ME104592
10262598
C20790
7.68
213.1122
7-Ethoxycoumarin
7-Ethoxycoumarin
ME104593
35703
C11052
9.21
191.0703
7-Hydroxy-3-(4-methoxyphenyl)-4-propyl-2H-1-benzop...
-
ME104594
5357444
C15051
7.33
311.127
7-Hydroxymethyl-12-methylbenz[a]anthracene sulfate
-
ME104595
54611
C19562
8.3
353.0847
7-Mercaptoheptanoylthreonine
-
ME104596
24892802
C16594
8.9
264.1266
7-Methyluric acid_1
7-Methyluric acid
ME104597
69160
C16355
6.34
183.0515
7-Methyluric acid_2
7-Methyluric acid
ME104598
69160
C16355
0.1
183.0509
7-Methylxanthine
7-Methylxanthine
ME104599
68374
C16353
6.57
167.0565
7-Methylxanthosine
7-Methylxanthosine
ME104600
23724732
C16352
6.65
300.1076
(7R)-7-(5-Carboxy-5-oxopentanoyl)aminocephalospori...
-
ME104150
440452
C04712
8.05
208.0438
8-(3,3-Dimethylallyl)spatheliachromene
-
ME104601
441961
C09002
11.94
327.1589
8-Amino-7-oxononanoate_1
8-Amino-7-oxononanoic acid
ME104602
173
C01092
1.22
188.1283
8-Amino-7-oxononanoate_2
8-Amino-7-oxononanoic acid
ME104603
173
C01092
9.09
188.1283
8-Amino-7-oxononanoate_3
8-Amino-7-oxononanoic acid
ME104604
173
C01092
6.07
188.1282
8-Amino-7-oxononanoate_4
8-Amino-7-oxononanoic acid
ME104605
173
C01092
6.9
188.1283
8-Amino-7-oxononanoate_5
8-Amino-7-oxononanoic acid
ME104606
173
C01092
8.11
188.1284
8-Amino-7-oxononanoate_6
8-Amino-7-oxononanoic acid
ME104607
173
C01092
2.88
188.1285
8-Oxoguanine
8-Hydroxyguanine
ME104608
65154
C20155
1.4
168.0513
9,12,13-TriHOME
9,12,13-TriHOME
ME104609
9858729
C14833
11.18
331.2481
9-Methylthiononanaldoxime
9-Methylthiononanaldoxime
ME104610
25010752
C17253
1.74
204.1423
9-Oxononanoic acid_1
9-Oxo-nonanoic acid
ME104611
75704
C16322
8.85
173.1173
9-Oxononanoic acid_2
9-Oxo-nonanoic acid
ME104612
75704
C16322
7.59
173.1173
(9Z,12Z)-(8R)-Hydroxyoctadeca-9,12-dienoic acid_1
8R-HODE
ME104155
5281117
C08318
14.71
297.2421
(9Z,12Z)-(8R)-Hydroxyoctadeca-9,12-dienoic acid_2
8R-HODE
ME104156
5281117
C08318
11.38
297.2424
(9Z)-(13S)-12,13-Epoxyoctadeca-9,11-dienoic acid_1
-
ME104151
5280703
C04594
11.06
295.2266
(9Z)-(13S)-12,13-Epoxyoctadeca-9,11-dienoic acid_2
-
ME104152
5280703
C04594
10.1
295.2268
(9Z)-(7S,8S)-Dihydroxyoctadecenoic acid_1
(9Z)-(7S,8S)-Dihydroxyoctadecenoic acid
ME104153
5281030
C07355
16.18
315.2527
(9Z)-(7S,8S)-Dihydroxyoctadecenoic acid_2
(9Z)-(7S,8S)-Dihydroxyoctadecenoic acid
ME104154
5281030
C07355
11.34
315.2527
Abacavir
Abacavir
ME104613
441300
C07624
7.48
287.1602
Abscisate
Abscisic acid
ME104614
5280896
C06082
9.5
265.1434
Acadesine
AICAR
ME104615
17513
C04663
3.27
259.1038
Acanthicifoline
Acanthicifoline
ME104616
442503
C09907
4.23
193.0971
Acetone cyanohydrin_1
2-Hydroxy-2-methylpropanenitrile
ME104617
6406
C02659
3.64
86.0607
Acetone cyanohydrin_2
2-Hydroxy-2-methylpropanenitrile
ME104618
6406
C02659
2.01
86.0607
Acetyl adenylate
Acetyl adenylate
ME104619
440867
C05993
9.58
390.0791
Acetylagmatine
Acetylagmatine
ME104620
439661
C02131
3.47
173.1398
Acetylcysteine_1
N-Acetylcysteine
ME104621
12035
C06809
1.97
164.0374
Acetylcysteine_2
N-Acetylcysteine
ME104622
12035
C06809
9.4
164.0379
Acetylcysteine_3
N-Acetylcysteine
ME104623
12035
C06809
3.52
164.0376
Acetyltropine
O-Acetyltropine
ME104624
10559369
C12452
6.71
184.1334
Acronycidine
Acronycidine
ME104625
95708
C10631
10.64
290.1025
Acrylamide
Acrylamide
ME104626
6579
C01659
2.01
72.0452
Actinidine
Actinidine
ME104627
68231
C09910
7.32
148.1122
Acutumidine
Acutumidine
ME104628
442840
C10565
6.47
384.1228
Acyclovir
Aciclovir
ME104629
2022
C06810
5.52
226.0936
Adenine
Adenine
ME104630
190
C00147
5.84
136.0619
ADENINE
Adenine
ME104631
190
C00147
1.56
136.062
Adenosine
Adenosine
ME104632
60961
C00212
5.83
268.1042
Aethusin
-
ME104633
5281130
C08395
10.45
171.1168
Agaritine
-
ME104634
439516
C01550
3.37
268.1292
Agnuside
-
ME104635
442416
C09765
10.96
467.153
Alantolactone_1
Alantolactone
ME104636
72724
C09289
9.77
233.1538
Alantolactone_2
Alantolactone
ME104637
72724
C09289
10.88
233.1536
Aldicarb_1
Aldicarb
ME104638
9570071
C11015
14.16
191.0856
Aldicarb_2
Aldicarb
ME104639
9570071
C11015
6.41
191.0846
Allidochlor_1
-
ME104640
7157
C19043
10.38
174.0676
Allidochlor_2
-
ME104641
7157
C19043
8.57
174.0677
Allylestrenol_1
Allylestrenol
ME104642
235905
C12811
10.51
301.2525
Allylestrenol_2
Allylestrenol
ME104643
235905
C12811
11.58
301.2528
alpha-[3-(Nitrosoamino)propyl]-3-pyridinemethanol
-
ME104644
53297442
C19581
7.21
196.1079
ALPHA-AMINOADIPATE
Aminoadipic acid
ME104645
469
C00956
0.96
162.0763
alpha-Curcumene_1
-
ME104646
442360
C09649
11.55
203.1795
alpha-Curcumene_2
-
ME104647
442360
C09649
9.47
203.1795
alpha-Fluoro-beta-ureidopropionic acid
-
ME104648
151244
C16631
8.25
151.0516
ALPHA-HYDROXYISOBUTYRIC ACID
2-Hydroxyisobutyric acid
ME104649
11671
-
2.27
103.0395
alpha-Ionone_1
alpha-Ionone
ME104650
5282108
C12286
9.34
193.1588
alpha-Ionone_2
alpha-Ionone
ME104651
5282108
C12286
7.5
193.1588
alpha-Irone_1
alpha-Irone
ME104652
5371002
C09690
10.78
207.1746
alpha-Irone_2
alpha-Irone
ME104653
5371002
C09690
14.68
207.1745
alpha-N-Acetylneuraminyl-2,6-beta-D-galactosyl-1,4...
-
ME104654
125128
C04886
1.05
675.2447
alpha-Oxo-benzeneacetic acid_1
Phenylglyoxylic acid
ME104655
11915
C02137
7.77
151.0385
alpha-Oxo-benzeneacetic acid_2
Phenylglyoxylic acid
ME104656
11915
C02137
3.19
151.0389
alpha-Ribazole_1
alpha-Ribazole
ME104657
160433
C05775
7.33
279.134
alpha-Ribazole_2
alpha-Ribazole
ME104658
160433
C05775
8.32
279.1338
alpha-Santonin
alpha-Santonin
ME104659
221071
C02206
9.51
247.1329
alpha-Sinensal_1
Sinensal
ME104660
5281534
C09729
14.42
219.1745
alpha-Sinensal_2
Sinensal
ME104661
5281534
C09729
9.52
219.1745
alpha-Sinensal_3
Sinensal
ME104662
5281534
C09729
15.91
219.1745
alpha-Sinensal_4
Sinensal
ME104663
5281534
C09729
12.9
219.1745
Amabiline_1
Amabiline
ME104664
-
C10263
9.29
284.1858
Amabiline_2
Amabiline
ME104665
-
C10263
7.59
284.1858
AMCC
N-Acetyl-S-(n-methylcarbamoyl)cysteine
ME104666
4489451
C11490
9.27
221.0596
Aminopyrine
Aminophenazone
ME104667
6009
C07539
7.53
232.1448
Amoxicillin
Amoxicillin
ME104668
33613
C06827
7.06
366.1124
AMPA
Ampa
ME104669
1221
C13672
0.96
187.0714
Amphetamine
Dextroamphetamine
ME104670
3007
C07514
7.82
136.1122
Anastrozole
Anastrozole
ME104671
2187
C08159
9.77
294.17
Ancymidol
Ancymidol
ME104672
25572
C18774
8.73
257.1283
Androsterone
Androsterone
ME104673
5879
C00523
10.92
291.2318
Angelicin
Angelicin
ME104674
10658
C09060
8.92
187.0391
Aniline
Aniline
ME104675
6115
C00292
1.52
94.0658
Aniracetam
Aniracetam
ME104676
2196
C13355
10.23
220.0969
Ankorine
Ankorine
ME104677
442166
C09337
10.7
336.2168
Annuloline
Annuloline
ME104678
5281816
C10570
5.1
338.1374
Anthopleurine
-
ME104679
24858868
C16994
0.85
178.1074
Anthranilate
2-Aminobenzoic acid
ME104680
227
C00108
0.97
138.0552
Apigenin
Apigenin
ME104681
5280443
C01477
9.57
271.06
Apigenin 7,4'-dimethyl ether
7,4'-Di-O-methylapigenin
ME104682
5281601
C10019
6.74
150.0495
Apiole_1
Apiole
ME104683
10659
C10429
12.53
223.0966
Apiole_2
Apiole
ME104684
10659
C10429
10.09
223.0967
Apiole_3
Apiole
ME104685
10659
C10429
11.19
223.0966
Apiole_4
Apiole
ME104686
10659
C10429
9.26
223.0961
Apraclonidine
Apraclonidine
ME104687
2216
C07668
6.44
245.0352
Aprobarbital
Aprobarbital
ME104688
6464
C07826
6.51
211.1078
Arbutin
Arbutin
ME104689
440936
C06186
7.83
273.0974
Archangelicin
Archangelicin
ME104690
5281371
C09116
10.22
214.0907
Arg-OEt
Ethyl arginate
ME104691
439495
C01404
1.06
203.1505
Aristolochic acid
Aristolochic acid
ME104692
2236
C08469
1.55
171.5341
Aromatic aldehyde_1
Benzaldehyde
ME104693
240
C00193
8.12
107.0496
Aromatic aldehyde_2
Benzaldehyde
ME104694
240
C00193
7.14
107.0496
Ascorbate
Vitamin C
ME104695
54670067
C00072
1.25
177.0396
Asparagusate
Asparagusic acid
ME104696
16070001
C01892
1.76
150.9883
Aspartame
Aspartame
ME104697
134601
C11045
7.85
295.1289
Aspidinol_1
Aspidinol
ME104698
122841
C10673
9.19
225.112
Aspidinol_2
Aspidinol
ME104699
122841
C10673
10.15
225.1122
Aspulvinone E
Aspulvinone E
ME104700
54675753
C02006
7.47
149.0417
Asulam
-
ME104701
18752
C18350
7.45
231.0444
Atheroline
Atheriline
ME104702
5360043
C09343
7.55
169.5553
Atractylone
-
ME104703
3080635
C16919
15.54
217.1588
Austrobailignan 1
Austrobailignan 1
ME104704
325700
C10546
9.47
383.1126
Autumnolide
Autumnolide
ME104705
442171
C09346
9.88
281.1373
Avizafone
Avizafone
ME104706
71968
C11725
6.08
431.1831
Azelaic acid
Azelaic acid
ME104707
2266
C08261
9.33
189.1123
Baicalin
Baicalin
ME104708
64982
C10025
9.3
447.0931
Bakankoside
Bakankoside
ME104709
442506
C09914
9.76
358.1496
Bakkenolide A_1
Bakkenolide A
ME104710
442173
C09350
14.28
235.1693
Bakkenolide A_2
Bakkenolide A
ME104711
442173
C09350
9.4
235.1692
Bakkenolide A_3
Bakkenolide A
ME104712
442173
C09350
10.32
235.1693
Barbaloin
Aloin
ME104713
14989
C10305
9.52
419.1335
Barbiturate
Barbituric acid
ME104714
6211
C00813
1.43
129.0291
Bay-K-8644
-
ME104715
2303
C13758
7.16
357.1041
Bendiocarb_1
Bendiocarb
ME104716
2314
C14433
7.69
224.0917
Bendiocarb_2
Bendiocarb
ME104717
2314
C14433
10.01
224.0918
Bendiocarb_3
Bendiocarb
ME104718
2314
C14433
6.58
224.0915
Benzamide
Benzamide
ME104719
2331
C09815
0.68
122.0609
Benzene_1
Benzene
ME104720
241
C01407
8.19
79.055
Benzene_2
Benzene
ME104721
241
C01407
1.15
79.055
Benzo[a]pyrene-7,8-dihydrodiol-9,10-oxide
-
ME104722
41322
C14853
8.09
303.1006
Benzoate_1
Benzoic acid
ME104725
243
C00180
3.52
123.0444
Benzoate_2
Benzoic acid
ME104726
243
C00180
7.17
123.0439
Benzo[b]naphtho[2,1-d]thiophene_1
-
ME104723
9198
C20124
9.11
235.0578
Benzo[b]naphtho[2,1-d]thiophene_2
-
ME104724
9198
C20124
7.82
235.057
Benzofuran_1
Benzofuran
ME104727
9223
C14512
9.05
119.0495
Benzofuran_2
Benzofuran
ME104728
9223
C14512
6.75
119.0496
Benzoin_1
Benzoin
ME104729
8400
C01408
9.69
213.0921
Benzoin_2
Benzoin
ME104730
8400
C01408
10.62
213.0913
Benzoyl isothiocyanate
-
ME104731
68284
C20170
2.64
164.0175
Benzyl (2R,3S)-2-methyl-3-hydroxybutanoate
-
ME104732
440386
C04561
10.97
209.1172
Benzyl alcohol_1
Benzyl alcohol
ME104733
244
C00556
8.42
109.0653
Benzyl alcohol_2
Benzyl alcohol
ME104734
244
C00556
10.9
109.0653
Bergaptol_1
Bergaptol
ME104735
5280371
C00758
8.27
203.0339
Bergaptol_2
Bergaptol
ME104736
5280371
C00758
3.5
203.0348
Bergaptol_3
Bergaptol
ME104737
5280371
C00758
10.9
203.0341
BETA-ALANINE
beta-Alanine
ME104738
239
C00099
0.75
90.0557
beta-Carboline_1
beta-Carboline
ME104739
64961
C20157
10.55
169.0755
beta-Carboline_2
beta-Carboline
ME104740
64961
C20157
8.47
169.0756
beta-Chloro-alpha-phenylbenzeneethanamine hydrochl...
-
ME104741
11954169
C15411
9.35
268.0654
beta-Citryl-L-glutamate
Beta-Citryl-glutamic acid
ME104742
189741
C20775
3.49
322.0765
beta-Cotonefuran
beta-Cotonefuran
ME104743
441781
C08740
9.83
305.1014
Betagarin
Betagarin
ME104744
442261
C09479
11.08
329.1023
BETAINE
Betaine
ME104745
247
C00719
0.91
118.0866
Biochanin A
Biochanin A
ME104746
5280373
C00814
10.29
285.0758
Biotin
Biotin
ME104747
171548
C00120
6.71
245.0954
Biotin amide
Biotin amide
ME104748
83831
C01893
1.33
244.1114
Biotin sulfone
Biotin sulfone
ME104749
83863
C20387
3.49
277.0854
Biotin sulfoxide
Biotin sulfoxide
ME104750
83833
C20386
7.28
261.0903
Biphenyl-2,3-diol
Biphenyl-2,3-diol
ME104751
254
C02526
9.24
187.0755
Bisphenol A dimethacrylate
-
ME104752
76739
C14345
6.53
183.0908
Bisphenol B
Bisphenol B
ME104753
66166
C14225
15.54
243.1382
Bisthiosemi
-
ME104754
3037919
C19137
1.8
195.0474
Boc-Asn_1
-
ME104755
82035
C01410
3.04
233.1133
Boc-Asn_2
-
ME104756
82035
C01410
4.55
233.1133
Boc-Asn_3
-
ME104757
82035
C01410
2.21
233.1133
Boc-Asn-OPhNO2
-
ME104758
439663
C02138
6.94
354.1293
(+)-Bornane-2,5-dione_1
Bornane-2,5-dione
ME104128
20218
C03037
8.21
167.1068
(+)-Bornane-2,5-dione_2
Bornane-2,5-dione
ME104129
20218
C03037
9.87
167.1068
Boschnialactone_1
Boschnialactone
ME104759
442420
C09772
8.58
155.1067
Boschnialactone_2
Boschnialactone
ME104760
442420
C09772
9.76
155.1067
Boschnialactone_3
Boschnialactone
ME104761
442420
C09772
7.62
155.1068
Botrydial
Botrydial
ME104762
185781
C09622
12.29
311.1855
Bowdichione
Bowdichione
ME104763
5281705
C10202
6.93
299.0553
Brugine
Brugine
ME104764
442998
C10849
7.21
274.0923
Buddledin A_1
Buddledin A
ME104765
5281514
C09623
14.64
277.1797
Buddledin A_2
Buddledin A
ME104766
5281514
C09623
12.23
277.1797
Bufadienolide
-
ME104767
-
C16921
10.36
355.2632
Bufferin
Aspirin
ME104768
2244
C13400
6.99
400.0324
Bufotenine
Bufotenin
ME104769
10257
C08299
7.71
205.1333
Buspirone_1
Buspirone
ME104770
2477
C06861
10.17
386.2541
Buspirone_2
Buspirone
ME104771
2477
C06861
9.06
386.256
Butabarbital
Butabarbital
ME104772
2479
C07827
6.98
213.1235
Butanal_1
Butanal
ME104773
261
C01412
1.73
73.0656
Butanal_2
Butanal
ME104774
261
C01412
6.96
73.0656
Butanoic acid_1
Butyric acid
ME104775
20975673
C00246
8.89
89.0605
Butanoic acid_2
Butyric acid
ME104776
20975673
C00246
7
89.0605
Butanoic acid_3
Butyric acid
ME104777
20975673
C00246
2.28
89.0604
Butanoylphosphate
-
ME104778
266
C02527
3.53
169.0259
Butoctamide hydrogen succinate_1
Listomin S
ME104779
2486
C12946
9.1
316.2118
Butoctamide hydrogen succinate_2
Listomin S
ME104780
2486
C12946
8.13
316.2118
Butonate
-
ME104781
31343
C18967
7.05
326.973
Butopyronoxyl
-
ME104782
10760
C19142
9.4
227.1279
Bz-Arg-OEt
Bz-Arg-OEt
ME104783
439543
C01670
9.78
307.1756
C20915
-
ME104784
92042781
C20915
9.05
292.1517
Cadaverine
Cadaverine
ME104785
273
C01672
0.68
103.1235
Caffeine
Caffeine
ME104786
2519
C07481
8.01
195.0878
Cajanol
Cajanol
ME104787
442670
C10204
6.73
159.0548
Calcium levulinate anhydrous
-
ME104788
11578
C18380
9.19
271.0477
Calystegin B2_1
Calystegin B2
ME104789
443000
C10851
1.26
176.092
Calystegin B2_2
Calystegin B2
ME104790
443000
C10851
2.84
176.0919
Calystegin B2_3
Calystegin B2
ME104791
443000
C10851
3.71
176.0919
(+)-Camphor_1
Camphor
ME104130
2537
C00808
9.12
153.1276
(+)-Camphor_2
Camphor
ME104131
2537
C00808
7.54
153.1276
Capillanol
-
ME104792
5315669
C17783
10.89
175.1118
Capsi-amide
Capsiamide
ME104793
47346
C17515
15.88
270.2793
Carbetamide
-
ME104794
27689
C11075
7.27
237.1234
Carisoprodol
Carisoprodol
ME104795
2576
C07927
6.42
261.1812
Carpacin_1
Carpacin
ME104796
5281763
C10435
9.98
193.0862
Carpacin_2
Carpacin
ME104797
5281763
C10435
7.81
193.0862
(-)-Carvone
Carvone
ME104113
439570
C01767
10.15
151.1119
Castanospermine_1
Castanospermine
ME104798
54445
C02256
2.02
190.1073
Castanospermine_2
Castanospermine
ME104799
54445
C02256
4.67
190.1074
Catechol
Pyrocatechol
ME104800
289
C00090
0.9
111.0447
CATECHOL
Pyrocatechol
ME104801
289
C00090
6.74
109.0289
CB3717
10-Propargyl-5,8-dideazafolic acid
ME104802
443388
C11737
9.99
478.1714
CBS 113A
-
ME104803
163834
C14081
4.15
243.0344
Cefepime
Cefepime
ME104804
5479537
C08111
9.3
481.1339
Centarol
Centarol
ME104805
442349
C09632
9.39
239.2006
Cerulenin_1
Cerulenin
ME104806
5282054
C12058
10.86
224.1282
Cerulenin_2
Cerulenin
ME104807
5282054
C12058
7.19
224.1282
Cetraxate
Cetraxate
ME104808
2680
C01564
10.12
306.17
Chlorfenac
-
ME104809
6805
C19114
1.13
238.9431
Chlorhexidine
Chlorhexidine
ME104810
9552079
C06902
9.41
505.209
Chloridazon
-
ME104811
15546
C18570
5.54
222.043
Chloromethiuron
-
ME104812
3034465
C19026
2.33
229.0552
Chlorphenesin carbamate
Chlorphenesin carbamate
ME104813
2724
C07930
8.01
246.0524
Chlortetracycline
Chlortetracycline
ME104814
54675777
C06571
9.61
479.1202
Cholesterol sulfate
Cholesterol sulfate
ME104815
65076
C18043
17.13
467.3168
Choline phosphate
Choline phosphate
ME104816
135437
C00588
7.93
185.0806
Chrysoeriol_1
Chrysoeriol
ME104817
5280666
C04293
9.55
301.071
Chrysoeriol_2
Chrysoeriol
ME104818
5280666
C04293
10.41
301.0708
Cibarian
Cibarian
ME104819
100275
C08473
3.43
383.0948
Cinnamaldehyde_1
Cinnamaldehyde
ME104820
637511
C00903
8.51
133.065
Cinnamaldehyde_2
Cinnamaldehyde
ME104821
637511
C00903
7.32
133.0648
Cinncassiol B
-
ME104822
71448932
C17648
10.44
401.2162
Cinncassiol E
-
ME104823
46173972
C17659
9.92
399.2016
Cinoxacin
Cinoxacin
ME104824
2762
C08052
9.2
263.0674
cis-1,2-Dihydro-3-ethylcatechol_1
cis-1,2-Dihydro-3-ethylcatechol
ME104825
441155
C06727
7.52
141.0911
cis-1,2-Dihydro-3-ethylcatechol_2
cis-1,2-Dihydro-3-ethylcatechol
ME104826
441155
C06727
13.24
141.0911
cis-1,2-Dihydro-3-ethylcatechol_3
cis-1,2-Dihydro-3-ethylcatechol
ME104827
441155
C06727
9.1
141.0911
cis-1,2-Dihydro-3-ethylcatechol_4
cis-1,2-Dihydro-3-ethylcatechol
ME104828
441155
C06727
5.11
141.0912
cis-1,2-Dihydronaphthalene-1,2-diol_1
(1R,2S)-1,2-Dihydronaphthalene-1,2-diol
ME104829
440294
C04314
11.25
163.0755
cis-1,2-Dihydronaphthalene-1,2-diol_2
(1R,2S)-1,2-Dihydronaphthalene-1,2-diol
ME104830
440294
C04314
14.7
163.0755
cis-1,2-Dihydronaphthalene-1,2-diol_3
(1R,2S)-1,2-Dihydronaphthalene-1,2-diol
ME104831
440294
C04314
8.81
163.0756
cis-2,3-Dihydro-2,3-dihydroxybiphenyl_1
(1S,2R)-3-Phenylcyclohexa-3,5-diene-1,2-diol
ME104832
5459789
C06589
10.11
189.091
cis-2,3-Dihydro-2,3-dihydroxybiphenyl_2
(1S,2R)-3-Phenylcyclohexa-3,5-diene-1,2-diol
ME104833
5459789
C06589
7.92
189.0911
cis-2,3-Dihydroxy-2,3-dihydro-p-cumate
-
ME104834
9543088
C06579
9.13
199.0963
cis-2-Carboxycyclohexyl-acetic acid_1
cis-2-Carboxycyclohexyl-acetic acid
ME104835
656884
C14112
8.79
187.0967
cis-2-Carboxycyclohexyl-acetic acid_2
cis-2-Carboxycyclohexyl-acetic acid
ME104836
656884
C14112
7.35
187.0966
cis-2-Carboxycyclohexyl-acetic acid_3
cis-2-Carboxycyclohexyl-acetic acid
ME104837
656884
C14112
4.37
187.0965
cis-3,4-Leucopelargonidin
-
ME104838
440073
C03648
4.49
146.0469
cis-4-Carboxymethylenebut-2-en-4-olide_1
cis-4-Carboxymethylenebut-2-en-4-olide
ME104839
9543248
C04431
1.26
141.0185
cis-4-Carboxymethylenebut-2-en-4-olide_2
cis-4-Carboxymethylenebut-2-en-4-olide
ME104840
9543248
C04431
9.15
141.0181
cis-4-Carboxymethylenebut-2-en-4-olide_3
cis-4-Carboxymethylenebut-2-en-4-olide
ME104841
9543248
C04431
10.46
141.0178
cis-Aconitate_1
cis-Aconitic acid
ME104842
643757
C00417
2.01
175.0239
cis-Aconitate_2
cis-Aconitic acid
ME104843
643757
C00417
1.19
175.0238
cis-Aconitate_3
cis-Aconitic acid
ME104844
643757
C00417
7.21
175.0243
Citalopram propionic acid
Citalopram propionic acid
ME104845
10403174
C16610
7.77
156.5548
CITRAMALATE
Citramalic acid
ME104846
1081
C00815
2.41
171.0266
CITRATE
Citric acid
ME104847
311
C00158
2.03
215.0163
Citrate_1
Citric acid
ME104848
311
C00158
2.01
193.0344
Citrate_2
Citric acid
ME104849
311
C00158
1.18
193.0345
Clavamycin D
-
ME104850
59725
C17364
10.11
316.1496
Clavamycin E
-
ME104851
46173893
C17365
3.58
288.1189
Clavulanic acid
Clavulanate
ME104852
5280980
C06662
6.68
200.0554
Clitidine_1
-
ME104853
182378
C19977
6.43
271.0925
Clitidine_2
-
ME104854
182378
C19977
5.3
271.0925
Clopyralid
Clopyralid
ME104855
15553
C18779
0.91
191.9623
Codeine-6-glucuronide
-
ME104856
5489029
C16577
10.18
476.1915
Codonopsine
Codonopsine
ME104857
442631
C10137
7.86
268.1539
Coenzyme B
Coenzyme B
ME104858
5486800
C04628
8.1
172.5497
Compactin diol lactone
ML 236A
ME104859
173651
C14183
10.53
307.1906
Coniferyl alcohol_1
Coniferyl alcohol
ME104860
1549095
C00590
9.09
181.0859
Coniferyl alcohol_2
Coniferyl alcohol
ME104861
1549095
C00590
11.25
181.086
Coniferyl alcohol_3
Coniferyl alcohol
ME104862
1549095
C00590
12.22
181.086
Coniferyl alcohol_4
Coniferyl alcohol
ME104863
1549095
C00590
7.13
181.086
Coproporphyrin I
Coproporphyrin I
ME104864
68271
C05769
9.24
328.1409
Corticosterone_1
Corticosterone
ME104865
5753
C02140
9.62
347.2217
Corticosterone_2
Corticosterone
ME104866
5753
C02140
11.13
347.2216
Coumarin_1
Coumarin
ME104867
18327169
C05851
7.66
147.0443
Coumarin_2
Coumarin
ME104868
18327169
C05851
8.86
147.0442
Coumarin_3
Coumarin
ME104869
18327169
C05851
10.31
147.0442
Coumestrol
Coumestrol
ME104870
5281707
C10205
3.32
269.0444
CREATINE
Creatine
ME104871
586
C00300
0.94
132.077
CREATININE_1
Creatinine
ME104872
588
C00791
0.96
114.0666
CREATININE_2
Creatinine
ME104873
588
C00791
0.89
112.0506
Crotanecine_1
Crotanecine
ME104874
394146
C10284
1.81
172.0969
Crotanecine_2
Crotanecine
ME104875
394146
C10284
8.47
172.097
Crotanecine_3
Crotanecine
ME104876
394146
C10284
4.51
172.0969
Cuauhtemone_1
Cuauhtemone
ME104877
442357
C09645
9.37
253.1797
Cuauhtemone_2
Cuauhtemone
ME104878
442357
C09645
10.58
253.1795
Cuauhtemone_3
Cuauhtemone
ME104879
442357
C09645
13.33
253.1797
Cucurbic acid_1
Cucurbic acid
ME104880
5281159
C08482
9.17
213.1485
Cucurbic acid_2
Cucurbic acid
ME104881
5281159
C08482
12.59
213.1488
Cumene_1
Isopropylbenzene
ME104882
7406
C14396
10.89
121.1016
Cumene_2
Isopropylbenzene
ME104883
7406
C14396
9.17
121.1016
Cumene_3
Isopropylbenzene
ME104884
7406
C14396
0.81
121.1006
Cumene_4
Isopropylbenzene
ME104885
7406
C14396
15.54
121.1015
Cupreine
-
ME104886
441075
C06530
7.59
156.0916
Curcumin monoglucoside
-
ME104887
11526601
C17749
10.92
531.1875
Cyanopyrazine
Cyanopyrazine
ME104888
73172
C02018
1.56
106.0394
Cyclacillin
Cyclacillin
ME104889
19003
C12766
4
342.1481
Cyclamate
Cyclamic acid
ME104890
7533
C19378
4.36
202.0505
Cycloheptanecarboxylic acid_1
Cycloheptanecarboxylic acid
ME104891
15091
C12104
9.32
143.1068
Cycloheptanecarboxylic acid_2
Cycloheptanecarboxylic acid
ME104892
15091
C12104
7.05
143.1068
Cyclohexane-1,3-dione_1
Cyclohexane-1,3-dione
ME104893
10434
C01066
7.35
113.0601
Cyclohexane-1,3-dione_2
Cyclohexane-1,3-dione
ME104894
10434
C01066
2.88
113.0602
Cyclohexanol
Cyclohexanol
ME104895
7966
C00854
2.31
101.0967
Cyclohexanone
Cyclohexanone
ME104896
7967
C00414
8.37
99.0811
Cyclohexylamine
Cyclohexylamine
ME104897
7965
C00571
6.55
100.1126
Cyclokievitone_1
Cyclokievitone
ME104898
156777
C10207
9.2
355.1175
Cyclokievitone_2
Cyclokievitone
ME104899
156777
C10207
11.44
355.1171
Cyclopenta[cd]pyrene
-
ME104900
33743
C19173
7.35
227.0849
Cyclopentanone_1
Cyclopentanone
ME104901
8452
C00557
2.86
85.0655
Cyclopentanone_2
Cyclopentanone
ME104902
8452
C00557
1.28
85.0655
Cyclopentanone_3
Cyclopentanone
ME104903
8452
C00557
7.19
85.0655
Cyclophosphamide
Cyclophosphamide
ME104904
2907
C06933
8.39
279.0427
Cyclosulfamuron
-
ME104905
6451137
C18439
8.57
211.5599
Cysteinyldopa
-
ME104906
29719
C17935
3.96
317.0802
Cytidine
Cytidine
ME104907
6175
C00475
1.84
244.0929
Cytosine_1
Cytosine
ME104908
597
C00380
5.6
112.051
Cytosine_2
Cytosine
ME104909
597
C00380
2.22
112.0511
D-2-Hydroxyisocaproate_1
D-Leucic acid
ME104912
439960
C03264
2.77
133.0861
D-2-Hydroxyisocaproate_2
D-Leucic acid
ME104913
439960
C03264
1.05
133.0859
D-2-Hydroxyisocaproate_3
D-Leucic acid
ME104914
439960
C03264
6.99
133.0861
D-2-Hydroxyisocaproate_4
D-Leucic acid
ME104915
439960
C03264
1.96
133.0861
D-Alanyl-D-alanine_1
D-Alanyl-D-Alanine
ME104916
5460362
C00993
1.03
161.0921
D-Alanyl-D-alanine_2
D-Alanyl-D-Alanine
ME104917
5460362
C00993
6.51
161.0922
D-Alanyl-D-serine
-
ME104918
1549438
C19719
1.53
177.0871
DAMGO
-
ME104919
5462471
C11318
9.72
514.2659
Danielone
Danielone
ME104920
146167
C10674
8.28
213.0757
D-Arabinono-1,4-lactone_1
D-Arabinono-1,4-lactone
ME104921
17723
C00652
8.81
149.045
D-Arabinono-1,4-lactone_2
D-Arabinono-1,4-lactone
ME104922
17723
C00652
14.93
149.045
D-(-)-ARABINOSE
Arabinose
ME104910
66308
-
0.69
149.0459
Dasytrichone
Dasytrichone
ME104923
442586
C10035
10.43
297.113
Dazomet
-
ME104924
10788
C18457
3.04
163.0362
D-Cathinone_1
Cathinone
ME104925
62258
C08301
7.03
150.0915
D-Cathinone_2
Cathinone
ME104926
62258
C08301
9.1
150.0915
D-Cathinone_3
Cathinone
ME104927
62258
C08301
2.11
150.0917
DCI
Asp-Cys-Ile
ME104928
-
C11772
2.16
248.0593
Debromoaplysiatoxin
-
ME104929
2967
C05148
11.99
593.3334
Dehydroalanine_1
2-Aminoacrylic acid
ME104930
123991
C02218
4.16
88.0399
Dehydroalanine_2
2-Aminoacrylic acid
ME104931
123991
C02218
5.33
88.04
Dehydrocycloguanandin
Dehydrocycloguanandin
ME104932
5281625
C10055
8.66
148.052
Dehydrojuvabione_1
Dehydrojuvabione
ME104933
85259
C09657
13.05
265.1798
Dehydrojuvabione_2
Dehydrojuvabione
ME104934
85259
C09657
11.21
265.1796
Dehydrojuvabione_3
Dehydrojuvabione
ME104935
85259
C09657
10.05
265.1798
Dehydrovomifoliol_1
Dehydrovomifoliol
ME104936
688492
C02533
10.12
223.133
Dehydrovomifoliol_2
Dehydrovomifoliol
ME104937
688492
C02533
7.75
223.1328
Deidaclin
-
ME104938
73604
C08329
4.45
272.1127
delta-Guanidinovaleric acid
DGVA
ME104939
160464
C13688
3.61
160.1082
Demethylalangiside
Demethylalangiside
ME104940
443418
C11813
9.75
492.1874
Deoxycoformycin
Pentostatin
ME104941
439693
C02267
1.79
269.1242
Deoxycytidine
Deoxycytidine
ME104943
13711
C00881
2.1
228.098
DEOXYCYTIDINE
Deoxycytidine
ME104942
13711
C00881
2.22
226.0823
Deoxyribose
2-Deoxyribose
ME104944
10786
C01801
0.76
135.0655
Deoxyuridine
Deoxyuridine
ME104945
13712
C00526
3.21
229.0822
D-Erythrose
Erythrose
ME104946
94176
C01796
9.34
121.0499
Deserpidine
Deserpidine
ME104947
8550
C06541
9.23
290.1388
Dethiobiotin
Dethiobiotin
ME104948
445027
C01909
6.21
215.1393
D-Fructose 6-phosphate
Fructose 6-phosphate
ME104949
69507
C00085
2.02
131.0226
D-(+)-GALACTOSAMINE
Galactosamine
ME104911
318324
-
0.72
202.0687
D-Galactose 6-sulfate
Galactose 6-sulfate
ME104950
439386
C01067
7.67
261.0288
D-Gluconic acid
Gluconic acid
ME104951
10690
C00257
7.33
197.0662
D-Glucono-1,5-lactone
Gluconolactone
ME104952
7027
C00198
4.3
179.0554
D-Glucose
Glucose
ME104953
5793
C00031
6.19
181.0714
Diacetyl
Diacetyl
ME104954
650
C00741
2.42
87.0447
Diamidafos
-
ME104955
15643
C19035
9.51
201.0778
Dianthalexin
Dianthalexin
ME104956
5281158
C08477
9.51
240.0648
Dibasic sodium phosphate
-
ME104957
24203
C13558
0.73
142.9483
Dibenzo[1,4]dioxin-2,3-dione_1
-
ME104958
192833
C03861
7.37
215.0339
Dibenzo[1,4]dioxin-2,3-dione_2
-
ME104959
192833
C03861
9.03
215.0337
Dibenzothiophene_1
Dibenzothiophene
ME104960
3023
C20125
1.03
185.0421
Dibenzothiophene_2
Dibenzothiophene
ME104961
3023
C20125
5.64
185.0421
Dibenzylsuccinate
Dibenzyl succinate
ME104962
7653
C07332
9.76
299.128
Dibutyl adipate_1
Dibutyl adipate
ME104963
7784
C14253
9.73
259.1905
Dibutyl adipate_2
Dibutyl adipate
ME104964
7784
C14253
13.15
259.1904
Dichloromethane
Dichloromethane
ME104965
6344
C02271
0.88
84.9604
Dichlorophen
-
ME104966
3037
C14292
3.3
269.0133
Dichlozoline
-
ME104967
32253
C18928
8.29
274.0035
Diclomezine
-
ME104968
93341
C18458
2.03
255.0092
Dictamnine
Dictamnine
ME104969
68085
C10660
6.53
200.0715
Diethanolamine_1
Diethanolamine
ME104970
8113
C06772
0.92
106.087
Diethanolamine_2
Diethanolamine
ME104971
8113
C06772
9.69
106.0867
Diethyl 2-methyl-3-oxosuccinate
4-Heptenal diethyl acetal
ME104972
97750
C04067
7.33
203.0915
Diethylene glycol_1
Diethylene glycol
ME104974
8117
C14689
8.89
107.0707
Diethylene glycol_2
Diethylene glycol
ME104975
8117
C14689
13.74
107.0707
Diethylene glycol_3
Diethylene glycol
ME104976
8117
C14689
12.53
107.0707
Diethylene glycol_4
Diethylene glycol
ME104977
8117
C14689
1.25
107.0709
Diethylene glycol_5
Diethylene glycol
ME104978
8117
C14689
10.85
107.0706
Diethylphosphoric acid
Diethylphosphate
ME104979
654
C06608
3.69
155.0471
Diethyl sulfate
-
ME104973
6163
C14706
1.19
155.0376
Difloxacin
-
ME104980
56206
C11234
1.21
200.577
Digitalose
Digitalose
ME104981
192798
C08235
1.09
179.0915
Dihomomethionine
Dihomomethionine
ME104982
228215
C17217
6.53
178.0898
Dihydro-4,4-dimethyl-2,3-furandione_1
2-Dehydropantolactone
ME104983
39
C01125
7.41
129.0548
Dihydro-4,4-dimethyl-2,3-furandione_2
2-Dehydropantolactone
ME104984
39
C01125
5.05
129.0547
Dihydro-4,4-dimethyl-2,3-furandione_3
2-Dehydropantolactone
ME104985
39
C01125
8.48
129.0549
Dihydroaceanthrylene
-
ME104986
160539
C19401
2.24
205.1007
Dihydrobiopterin_1
4a-Carbinolamine tetrahydrobiopterin
ME104987
119055
C00268
3.21
240.1091
Dihydrobiopterin_2
4a-Carbinolamine tetrahydrobiopterin
ME104988
119055
C00268
2.05
240.1084
Dihydroclavaminic acid
Dihydroclavaminic acid
ME104989
441125
C06659
2.25
201.0871
Dihydroeuparin
-
ME104990
186059
C08744
9.46
219.1021
Dihydrokaempferol
Aromadendrin
ME104991
122850
C00974
8.05
289.0697
Dihydrolipoate
(R)-Dihydrolipoic acid
ME104992
421
C02147
2.72
209.0671
Dihydro-O-methylsterigmatocystin
Dihydromethylsterigmatocystin
ME104993
14608351
C03944
6.02
171.0547
Dihydroxycarbazepine
-
ME104994
83852
C07495
10.15
271.108
Dihydroxyfumarate
(E)-2,3-Dihydroxybut-2-enedioic acid
ME104995
54678503
C00975
5.26
149.0072
Dihydrozeatin-O-glucoside
Dihydrozeatin-O-glucoside
ME104997
23724755
C16448
6.85
192.5976
Dihydrozeatin riboside
-
ME104996
10522005
C16447
8.88
354.1761
Diisopropyl phthalate_1
-
ME104998
11799
C14468
10.95
251.1277
Diisopropyl phthalate_2
-
ME104999
11799
C14468
9.19
251.1274
Diisopropyl phthalate_3
-
ME105000
11799
C14468
12.25
251.1278
Diisopropyl sulfate
-
ME105001
18096
C19230
1.14
183.0686
DIMBOA
2,4-Dihydroxy-7-methoxy-2H-1,4-benzoxazin-3(4H)-one
ME105002
2358
C04720
7.11
212.0558
Dimepiperate
-
ME105003
91679
C14571
8.09
264.1425
Dimexano
-
ME105004
15115
C19118
2.02
214.9325
Diphenhydramine_1
Diphenhydramine
ME105005
3100
C06960
9.71
256.1694
Diphenhydramine_2
Diphenhydramine
ME105006
3100
C06960
10.89
256.1695
Diphenylcarbazide
-
ME105007
8789
C11232
8.28
243.1228
Dipropyl disulfide_1
Dipropyl disulfide
ME105008
12377
C08373
6.84
151.0616
Dipropyl disulfide_2
Dipropyl disulfide
ME105009
12377
C08373
4.92
151.0616
dl-Methylephedrine hydrochloride
-
ME105010
13666
C13639
8.51
216.1143
D-Lysopine
D-Lysopine
ME105011
193187
C04020
1.4
219.1338
D-Mannitol 1-phosphate
Mannitol 1-phosphate
ME105012
23615341
C00644
8.98
263.0519
DMPP
1,1-Dimethyl-4-phenylpiperazinium iodide
ME105013
5911
C07488
2.65
319.0659
D-Octopine
D-Octopine
ME105014
108172
C04137
2.1
247.1398
Dodecanamide
Dodecanamide
ME105015
14256
C13831
12.63
200.2011
Dodecanedioic acid
Dodecanedioic acid
ME105016
12736
C02678
9.12
231.1592
Dodecylaldehyde
Laurylaldehyde
ME105017
8194
C02278
9.96
185.1902
Dodemorph
-
ME105018
61899
C18786
16.19
282.2793
Dolichotheline
-
ME105019
168082
C16696
6.89
196.1444
Domoic acid
Domoic acid
ME105020
5282253
C13732
10.47
312.1431
Dopamine_1
Dopamine
ME105021
681
C03758
3
154.0865
Dopamine_2
Dopamine
ME105022
681
C03758
5.11
154.0863
Dopaquinone_1
Dopaquinone
ME105023
439316
C00822
7.44
196.0606
Dopaquinone_2
Dopaquinone
ME105024
439316
C00822
9.08
196.0606
Drazoxolon_1
-
ME105025
9570206
C18929
1.04
238.0379
Drazoxolon_2
-
ME105026
9570206
C18929
7.38
238.0386
D-SORBITOL
Sorbitol
ME105027
453
C00794
0.77
205.0683
D-Urobilin_1
D-Urobilin
ME105028
5280820
C05795
10.15
589.3031
D-Urobilin_2
D-Urobilin
ME105029
5280820
C05795
11.98
589.3031
D-Urobilinogen_1
D-Urobilinogen
ME105030
440784
C05791
10.04
591.3182
D-Urobilinogen_2
D-Urobilinogen
ME105031
440784
C05791
12.09
591.3171
(E)-4-(Trimethylammonio)but-2-enoate
(E)-4-(Trimethylammonio)but-2-enoate
ME104157
5462194
C04114
1.1
144.102
E-64
E64
ME105032
123985
C01341
7.73
358.2074
Ectocarpen
Ectocarpen
ME105033
12491370
C16993
9.16
149.1326
Ectoine
Ectoine
ME105034
126041
C06231
1.05
143.0818
Efavirenz
Efavirenz
ME105035
64139
C08088
4.49
316.0354
(+)-Elaeocarpine
Elaeocarpine
ME104132
442854
C10591
9.38
258.1495
Encecalin
Encecalin
ME105036
114703
C09005
9.17
233.1174
Ephedrine
Ephedrine
ME105037
9294
C01575
6.74
166.1227
Epithienamycin B
-
ME105038
11723026
C17396
7.94
313.0853
Epithienamycin F
-
ME105039
10365832
C17399
9.25
395.0584
Epoxiconazole
-
ME105040
3317081
C11229
7.47
330.0817
epsilon-Caprolactam
Epsilon-caprolactam
ME105041
7768
C06593
7.2
114.0917
erythro-3-Hydroxy-Ls-aspartate
-
ME105042
14463
C03961
1.48
150.0388
Estazolam
Estazolam
ME105043
3261
C06981
8.77
295.0748
ETHANOLAMINE PHOSPHATE
Phosphoethanolamine
ME105044
1015
C00346
0.74
142.0266
Ethiofencarb
Ethiofencarb
ME105045
34766
C18649
8.26
226.0895
Ethionine_1
L-Ethionine
ME105046
25674
C11227
5.25
164.074
Ethionine_2
L-Ethionine
ME105047
25674
C11227
0.68
164.0742
Ethosuximide
Ethosuximide
ME105048
3291
C07505
1.63
142.0864
Ethyl 3-(N-butylacetamido)propionate_1
-
ME105050
104150
C18830
9.54
216.1597
Ethyl 3-(N-butylacetamido)propionate_2
-
ME105051
104150
C18830
8.24
216.1596
Ethyl 3-(N-butylacetamido)propionate_3
-
ME105052
104150
C18830
10.86
216.1595
Ethyl 3-oxohexanoate_1
Ethyl 3-oxohexanoate
ME105053
238498
C02975
7.37
159.1018
Ethyl 3-oxohexanoate_2
Ethyl 3-oxohexanoate
ME105054
238498
C02975
2.23
159.1016
Ethyl 3-oxohexanoate_3
Ethyl 3-oxohexanoate
ME105055
238498
C02975
5.05
159.1016
Ethyl cinnamate
Ethyl cinnamate
ME105056
637758
C06359
8.98
177.0911
Ethyl(E,Z)-decadienoate
-
ME105061
5281162
C08486
9.79
197.1538
Ethyl isovalerate
Ethyl isovalerate
ME105057
7945
C12290
8.51
131.1069
Ethyl (R)-3-hydroxyhexanoate
Ethyl (R)-3-hydroxyhexanoate
ME105049
440150
C03864
8.79
161.1173
Ethyl tiglate_1
Ethyl tiglate
ME105058
5281163
C08487
7.74
129.0913
Ethyl tiglate_2
Ethyl tiglate
ME105059
5281163
C08487
8.69
129.0913
Ethyl tiglate_3
Ethyl tiglate
ME105060
5281163
C08487
10.42
129.0913
Etomidate
Etomidate
ME105062
36339
C07522
8.64
245.1285
Europine
-
ME105063
98222
C10301
8.31
330.1911
Euxanthone
Euxanthone
ME105064
5281631
C10061
10.39
229.0505
Fagaramide
Fagaramide
ME105065
5281772
C10455
10.34
248.1283
Fagomine
Fagomine
ME105066
72259
C10144
1.14
148.0968
Faropenem sodium_1
Faropenem
ME105067
23663972
C13310
6.69
154.5315
Faropenem sodium_2
Faropenem
ME105068
23663972
C13310
8.42
308.0559
Fasoracetam
Fasoracetam
ME105069
198695
C13311
7.62
197.1286
Febrifugine
Febrifugine
ME105070
63224
C10677
8.5
302.15
Fenoldopam
Fenoldopam
ME105071
3341
C07693
6.94
306.0899
Fenoprofen
Fenoprofen
ME105072
3342
C06997
9.5
243.102
Fenpiclonil
-
ME105073
91724
C14268
3.33
236.9986
Ferrous lactate_1
-
ME105074
22197
C17382
1.49
234.9898
Ferrous lactate_2
-
ME105075
22197
C17382
3.65
234.99
Flavonol
-
ME105076
11349
C01495
4.16
120.0392
Flucloxacillin
Flucloxacillin
ME105077
21319
C11748
7.34
227.5365
Fluorene
Fluorene
ME105078
6853
C07715
10.09
167.0856
Fluoroacetamide
-
ME105079
12542
C18675
7.58
78.034
Forchlorfenuron_1
-
ME105080
93379
C18604
6.57
248.0587
Forchlorfenuron_2
-
ME105081
93379
C18604
3.16
248.0588
Formetanate
-
ME105082
31099
C18668
6.74
222.1239
Formononetin
Formononetin
ME105083
5280378
C00858
4.66
135.0443
FORMYL-L-METHIONYL PEPTIDE
N-Formylmethionine
ME105084
6995182
C03145
6.44
178.0534
Fortimicin FU-10
-
ME105085
46174014
C17971
6.82
341.1566
Fosetyl
-
ME105086
6328134
C18401
0.1
111.0208
Frutinone A
Frutinone A
ME105087
441965
C09008
7.44
133.0286
Fuberidazole
Fubridazole
ME105088
19756
C18737
10.2
185.0714
Fulvine
Fulvine
ME105089
73413
C10304
8.39
310.1649
Fumarate
Fumaric acid
ME105090
444972
C00122
1.34
117.0175
Furametpyr
-
ME105091
3083543
C18503
6.16
167.5698
Furfural diethyl acetal_1
-
ME105092
83553
C14280
9.33
171.1018
Furfural diethyl acetal_2
-
ME105093
83553
C14280
2.59
171.1018
Furfuryl alcohol_1
2-Furanmethanol
ME105094
7361
C20441
0.92
99.0439
Furfuryl alcohol_2
2-Furanmethanol
ME105095
7361
C20441
4.28
99.0447
Furfuryl alcohol_3
2-Furanmethanol
ME105096
7361
C20441
7.4
99.0447
Furmecyclox_1
Furmecyclox
ME105097
43359
C18912
11.17
252.1595
Furmecyclox_2
Furmecyclox
ME105098
43359
C18912
9.16
252.1595
Fusarin C
-
ME105099
6435894
C19243
9.69
432.2016
Galipine
-
ME105100
-
C10683
7.35
162.5834
gamma-Coniceine
gamma-Coniceine
ME105101
442632
C10138
7.18
126.128
gamma-Glutamyl-beta-aminopropiononitrile_1
gamma-Glutamyl-beta-aminopropiononitrile
ME105102
440920
C06114
4.68
200.103
gamma-Glutamyl-beta-aminopropiononitrile_2
gamma-Glutamyl-beta-aminopropiononitrile
ME105103
440920
C06114
6.29
200.1033
gamma-Glutamyl-beta-aminopropiononitrile_3
gamma-Glutamyl-beta-aminopropiononitrile
ME105104
440920
C06114
3.17
200.1031
gamma-Glutamyl-gamma-aminobutyraldehyde_1
gamma-Glutamyl-gamma-aminobutyraldehyde
ME105105
23724544
C15700
4.48
217.1184
gamma-Glutamyl-gamma-aminobutyraldehyde_2
gamma-Glutamyl-gamma-aminobutyraldehyde
ME105106
23724544
C15700
6.21
217.1184
gamma-Glutamyltyramine
-
ME105107
10214674
C20926
9.13
267.134
gamma-L-Glutamyl-L-cysteine
gamma-Glutamylcysteine
ME105108
123938
C00669
13.9
251.0702
gamma-L-Glutamyl-L-cysteinyl-beta-alanine
Homoglutathione
ME105109
7098648
C04544
5.05
322.1065
gamma-Undecalactone
gamma-Undecalactone
ME105110
7714
C08571
9.56
185.1537
Gemfibrozil_1
Gemfibrozil
ME105111
3463
C07020
13.01
251.1641
Gemfibrozil_2
Gemfibrozil
ME105112
3463
C07020
14.46
251.1641
Gemfibrozil_3
Gemfibrozil
ME105113
3463
C07020
9.49
251.163
Gemfibrozil_4
Gemfibrozil
ME105114
3463
C07020
10.98
251.1641
Genipin_1
Genipin
ME105115
442424
C09780
9.69
227.0916
Genipin_2
Genipin
ME105116
442424
C09780
8.82
227.091
Gentiopicrin
Gentiopicrin
ME105117
88708
C09782
10.27
179.0626
Geranyl formate
-
ME105118
5282109
C12294
9.04
183.1379
Gerrardine
Gerrardine
ME105119
442637
C10147
7.48
326.0379
Gibberellin A8
Gibberellin A8
ME105120
440051
C03579
11.29
365.1593
Gigantine
Gigantine
ME105121
442237
C09445
8.51
238.1437
Ginkgolide B
-
ME105122
6324617
C07602
9.11
213.0759
Ginkgolide C
-
ME105123
161120
C07603
9.22
441.139
Glaucarubinone
Glaucarubinone
ME105124
441796
C08763
10.77
495.2234
Gliotoxin
Gliotoxin
ME105125
6223
C10595
8.53
327.0466
Glutarate
Glutaric acid
ME105126
743
C00489
0.92
133.0497
Glutathionylaminopropylcadaverine
-
ME105127
24892796
C16566
10.92
449.2534
Glyburide
Glyburide
ME105128
3488
C07022
6.48
494.1519
Glycerol_1
Glycerol
ME105129
753
C00116
0.93
93.0555
Glycerol_2
Glycerol
ME105130
753
C00116
10.33
93.0552
Glycerone
Dihydroxyacetone
ME105131
670
C00184
1.07
91.0396
GLYCINE
Glycine
ME105132
750
C00037
0.74
76.0401
Glycine_1
Glycine
ME105133
750
C00037
1.62
76.0401
Glycine_2
Glycine
ME105134
750
C00037
7.12
76.0401
Glycocholate
Glycocholic acid
ME105135
10140
C01921
9.92
466.3164
Glycyl-leucine_1
Gly-Leu
ME105136
92843
C02155
1.32
189.1235
Glycyl-leucine_2
Gly-Leu
ME105137
92843
C02155
3.45
189.1234
Glyphosate-isopropylammonium
-
ME105138
38078
C18564
7.87
229.0951
Gossypetin
Gossypetin
ME105139
5280647
C04109
1.53
160.0261
Guanadrel
Guanadrel Sulfate
ME105140
38521
C07035
8.2
214.1549
GUANIDINOACETATE
Guanidoacetic acid
ME105141
763
C00581
0.82
118.0617
Guanidinoethyl methyl phosphate_1
-
ME105142
25202957
C04071
7.39
198.0645
Guanidinoethyl methyl phosphate_2
-
ME105143
25202957
C04071
3.24
198.063
GUANINE
Guanine
ME105144
764
C00242
1.59
152.0564
Guanine_1
Guanine
ME105145
764
C00242
5.01
152.0568
Guanine_2
Guanine
ME105146
764
C00242
6.82
152.0566
Guanosine
Guanosine
ME105147
6802
C00387
5.02
284.0988
HC Blue No.1
-
ME105149
17734
C19247
7.23
256.1294
HC Blue No. 2
-
ME105148
36383
C19429
7.6
286.1399
Heliotrine_1
Heliotrine
ME105150
906426
C10324
8.14
314.1961
Heliotrine_2
Heliotrine
ME105151
906426
C10324
9.1
314.196
Helveticoside
Helveticoside
ME105152
441860
C08869
10.52
535.2885
Heptadecatrienoic acid
Heptadecatrienoic acid
ME105153
16061034
C16344
8.07
265.2152
Hercynine
Hercynine
ME105154
5459798
C05575
9.07
199.1321
Hesperetin
Hesperetin
ME105155
72281
C01709
9.79
303.0865
Heterodendrin_1
Heterodendrin
ME105156
181804
C08332
6.26
262.1288
Heterodendrin_2
Heterodendrin
ME105157
181804
C08332
8.12
262.1288
Hexadecasphinganine
C16 Sphinganine
ME105158
656816
C13915
12.23
274.2743
Hexahomomethionine
Hexahomomethionine
ME105159
46878444
C17233
10
234.1532
Hexylamine
Hexylamine
ME105160
8102
C08306
6.65
102.1282
Hinokitiol glucoside
-
ME105161
9949234
C15451
10.19
327.1437
Hippurate
Hippuric acid
ME105162
464
C01586
8.04
180.0658
Histamine
Histamine
ME105164
774
C00388
6
112.0874
HISTAMINE
Histamine
ME105163
774
C00388
0.68
112.0874
Homoarginine
Homoarginine
ME105165
9085
C01924
0.96
189.1348
Homocarnosine
Homocarnosine
ME105166
10243361
C00884
2.03
241.1295
Homogentisate_1
Homogentisic acid
ME105167
780
C00544
7.59
169.0496
Homogentisate_2
Homogentisic acid
ME105168
780
C00544
2.12
169.0494
Homogentisate_3
Homogentisic acid
ME105169
780
C00544
5.7
169.0493
Homostachydrine_1
(S)-Homostachydrine
ME105170
441447
C08283
1.88
158.1177
Homostachydrine_2
(S)-Homostachydrine
ME105171
441447
C08283
7.32
158.1177
Hydantoin-5-propionate_1
Hydantoin-5-propionic acid
ME105172
782
C05565
2.76
173.0557
Hydantoin-5-propionate_2
Hydantoin-5-propionic acid
ME105173
782
C05565
1.83
173.0558
Hydrocortisone succinate
Hydrocortisone succinate
ME105174
16623
C12888
11.85
463.2334
(-)-Hygroline
Hygroline
ME104114
442642
C10152
0.82
144.1385
Hymexazol O-glucoside
Hymexazol O-glucoside
ME105175
443069
C11102
6.62
262.0923
Hyoscyamine methylbromide
-
ME105176
17882
C13109
7.15
384.1154
Hypaphorine
Lenticin
ME105177
442106
C09213
8.11
247.1444
HYPOXANTHINE
Hypoxanthine
ME105178
790
C00262
2.12
137.046
Hypoxylone
Hypoxylone
ME105179
442747
C10355
7.41
333.0754
Ibuprofen
Ibuprofen
ME105180
3672
C01588
8.13
207.1379
Ifosfamide
Ifosfamide
ME105181
3690
C07047
2.11
261.0319
Imazosulfuron
-
ME105182
92433
C18443
8.04
413.0433
Imidazol-5-yl-pyruvate_1
-
ME105183
794
C03277
2.73
155.0452
Imidazol-5-yl-pyruvate_2
-
ME105184
794
C03277
1.51
155.045
Iminoglycine_1
Dehydroglycine
ME105185
3080609
C15809
0.75
74.0239
Iminoglycine_2
Dehydroglycine
ME105186
3080609
C15809
7.39
74.0239
Indan-1-ol_1
Indan-1-ol
ME105187
22819
C01710
15.7
135.0807
Indan-1-ol_2
Indan-1-ol
ME105188
22819
C01710
6.78
135.0807
Indanofan
-
ME105189
11046097
C18470
8.06
171.0499
Indole
Indole
ME105190
798
C00463
8.04
118.0655
Indole-3-acetaldehyde_1
Indoleacetaldehyde
ME105191
800
C00637
7.03
160.0766
Indole-3-acetaldehyde_2
Indoleacetaldehyde
ME105192
800
C00637
7.97
160.0758
Indole-3-acetaldehyde_3
Indoleacetaldehyde
ME105193
800
C00637
10.16
160.0758
Indole-3-acetaldoxime N-oxide
Indole-3-acetaldoxime N-oxide
ME105194
46173868
C17204
7.34
191.0814
Indole-3-acetate_1
Indoleacetic acid
ME105195
802
C00954
8.96
176.0708
Indole-3-acetate_2
Indoleacetic acid
ME105196
802
C00954
9.98
176.0707
Indole-3-acetate_3
Indoleacetic acid
ME105197
802
C00954
7.45
176.071
Indole-5,6-quinone_1
Indole-5,6-quinone
ME105198
440728
C05579
6.38
148.0395
Indole-5,6-quinone_2
Indole-5,6-quinone
ME105199
440728
C05579
3.4
148.0397
Indole-5,6-quinone_3
Indole-5,6-quinone
ME105200
440728
C05579
9.27
148.0394
Indole-5,6-quinone_4
Indole-5,6-quinone
ME105201
440728
C05579
7.7
148.0394
Indolelactate_1
Indolelactic acid
ME105202
92904
C02043
9.45
206.0814
Indolelactate_2
Indolelactic acid
ME105203
92904
C02043
7.67
206.0818
Indospicine
Indospicine
ME105204
108010
C08288
6.22
174.1241
Inosine
Inosine
ME105205
6021
C00294
6.22
269.0881
Inulicin
-
ME105206
442263
C09483
12.07
309.1696
Iprovalicarb
-
ME105207
16212118
C18866
10.72
321.2174
Irisxanthone
Irisxanthone
ME105208
5281637
C10067
9.29
437.1066
Isobutyronitrile_1
Isobutyronitrile
ME105209
6559
C02420
1.55
70.0654
Isobutyronitrile_2
Isobutyronitrile
ME105210
6559
C02420
6.28
70.0653
ISOCITRIC ACID
Isocitric acid
ME105211
1198
C00311
1.17
215.0164
Isoetharine
Isoetharine
ME105212
3762
C07053
8.92
240.159
Isofenphos
Isofenphos
ME105213
32872
C11002
2.68
346.1243
Isoflavone
Isoflavone
ME105214
72304
C00799
10.07
223.0762
Isoflurophate_1
Isoflurophate
ME105215
5936
C00202
8.1
185.0746
Isoflurophate_2
Isoflurophate
ME105216
5936
C00202
9.11
185.0731
Isopentenyl diphosphate_1
Isopentenyl-diphosphate
ME105217
1195
C00129
3.14
247.0126
Isopentenyl diphosphate_2
Isopentenyl-diphosphate
ME105218
1195
C00129
6.75
247.0131
Isopentenyl diphosphate_3
Isopentenyl-diphosphate
ME105219
1195
C00129
5.6
247.0126
Isoprothiolane
Isoprothiolane
ME105220
39681
C11111
7.27
146.0399
Isoquinoline_1
Isoquinoline
ME105221
8405
C06323
7.59
130.0653
Isoquinoline_2
Isoquinoline
ME105222
8405
C06323
3.96
130.0644
Isoscoparine
Isoscoparin
ME105223
442611
C05990
10.59
463.1233
Isosorbide mononitrate
Isosorbide Mononitrate
ME105224
27661
C07714
2.78
192.0503
Isouron
-
ME105225
41648
C18432
3.59
212.1394
Isovalerylcarnitine
CAR 4:0;3Me
ME105226
6426851
C20826
8.14
246.1698
Isoxanthopterin
Isoxanthopterin
ME105227
10729
C03975
3.5
180.0519
Istamycin C1
-
ME105228
46174030
C17996
7.94
432.2801
Istamycin FU-10
-
ME105229
46174023
C17981
11.18
325.162
Jasmone_1
cis-Jasmone
ME105230
1549018
C08490
9.16
165.1275
Jasmone_2
cis-Jasmone
ME105231
1549018
C08490
7.4
165.1274
(-)-Jasmonic acid
Jasmonic acid
ME104115
5281166
C08491
9.1
211.1329
Jatrophatrione
Jatrophatrione
ME105232
5281372
C09119
10.36
315.1955
Kievitone
Kievitone
ME105233
119269
C01590
11.31
357.1329
Kikkanol A
-
ME105234
10706137
C17603
9.57
255.1948
Kurarinol
-
ME105235
44563198
C17444
10.77
457.2222
L-2,3-Dihydrodipicolinate
-
ME105236
5460228
C03340
6.68
170.0448
L-2-Amino-4-(hydroxymethylphosphinyl)butanoate
-
ME105237
91619
C04650
8.14
182.0568
L-2-Aminoadipate
alpha-Aminoadipic acid
ME105238
92136
C00956
1.86
162.0763
L-Adrenaline_1
Epinephrine
ME105239
5816
C00788
8.42
184.097
L-Adrenaline_2
Epinephrine
ME105240
5816
C00788
6.68
184.097
L-ALLOTHREONINE
Allothreonine
ME105241
99289
C05519
0.75
142.0478
Lamioside
Lamioside
ME105242
443328
C11645
8.04
421.1686
L-ARGININE
Arginine
ME105243
6322
C00062
0.74
175.1192
L-Arogenate_1
Arogenic acid
ME105244
25244469
C00826
2.58
228.0866
L-Arogenate_2
Arogenic acid
ME105245
25244469
C00826
6.6
228.0863
L-Aspartate
Aspartic acid
ME105246
5960
C00049
1.54
134.0451
L-Aspartate 4-semialdehyde
Aspartate-semialdehyde
ME105247
439235
C00441
1.98
118.0504
Latia luciferin_1
Latia luciferin
ME105248
5280505
C02293
10.12
237.1849
Latia luciferin_2
Latia luciferin
ME105249
5280505
C02293
8.77
237.1849
L-CARNITINE
Carnitine
ME105250
288
-
1
162.1125
L-Citrulline
Citrulline
ME105251
9750
C00327
1.23
176.1031
L-Cladinose_1
L-Cladinose
ME105252
5460588
C11917
9.34
177.1124
L-Cladinose_2
L-Cladinose
ME105253
5460588
C11917
7.23
177.1124
L-Cysteine
Cysteine
ME105254
594
C00097
4
122.0273
LEUCINE
Leucine
ME105255
6106
C00123
2.64
132.1021
Leukotriene A4
LTA4
ME105256
5280383
C00909
10.89
319.2266
Levamisole hydrochloride
Levamisole
ME105257
27944
C07906
4.21
241.0551
Levetiracetam_1
Levetiracetam
ME105258
5284583
C07841
6.07
171.1129
Levetiracetam_2
Levetiracetam
ME105259
5284583
C07841
7.17
171.1129
L-Formylkynurenine_1
N-Formyl-L-kynurenine
ME105260
439788
C02700
3.23
237.0864
L-Formylkynurenine_2
N-Formyl-L-kynurenine
ME105261
439788
C02700
6.9
237.087
L-Formylkynurenine_3
N-Formyl-L-kynurenine
ME105262
439788
C02700
4.1
237.087
L-Glutamate
Glutamic acid
ME105263
33032
C00025
8.41
148.061
L-Glutamine
Glutamine
ME105265
5961
C00064
9.29
147.0774
L-GLUTAMINE
Glutamine
ME105264
5961
C00064
0.76
147.0765
L-HISTIDINE
Histidine
ME105266
6274
C00135
0.73
156.0769
L-Histidinol
L-Histidinol
ME105267
165271
C00860
4.9
142.0976
L-Homocitrulline_1
Homocitrulline
ME105268
65072
C02427
0.97
190.1187
L-Homocitrulline_2
Homocitrulline
ME105269
65072
C02427
2.26
190.1186
Lichenin_1
Lichenin
ME105270
439241
C00478
3.15
163.0602
Lichenin_2
Lichenin
ME105271
439241
C00478
6.53
163.0601
L-Iduronate 2-sulfate
L-Iduronate 2-sulfate
ME105272
439915
C03126
2.64
275.0072
(-)-Limonene_1
Limonene
ME104116
439250
C00521
8.46
137.1326
(-)-Limonene_2
Limonene
ME104117
439250
C00521
10.09
137.1327
(-)-Limonene_3
Limonene
ME104118
439250
C00521
11.73
137.1326
Linamarin
Linamarin
ME105273
11128
C01594
2.24
248.1127
Lindheimerine
Lindheimerine
ME105274
441744
C08695
11.08
342.2429
Linoleate
Linoleic acid
ME105275
5280450
C01595
13.06
281.2475
Linuron
Linuron
ME105276
9502
C11007
6.7
249.0184
Lipoamide
Lipoamide
ME105277
863
C00248
3.44
206.0661
Liriodenine
Liriodenine
ME105278
10144
C09567
9.17
276.0648
L-Kynurenine
Kynurenine
ME105279
161166
C00328
3.59
209.0921
LL-2,6-Diaminoheptanedioate_1
2,6-Diaminopimelic acid
ME105280
865
C00666
0.89
191.1027
LL-2,6-Diaminoheptanedioate_2
2,6-Diaminopimelic acid
ME105281
865
C00666
3.13
191.1026
L-Leucine
Leucine
ME105282
6106
C00123
1
132.1021
L-Lysinamide
Lysinamide
ME105283
439605
C01930
0.76
146.1282
L-LYSINE
Lysine
ME105284
5962
C00047
0.66
147.1129
L-Lysine 1,6-lactam
L-2-aminohexano-6-lactam
ME105285
440599
C02837
1.21
129.1025
L-Metanephrine_1
L-Metanephrine
ME105286
688084
C05588
3.12
198.1125
L-Metanephrine_2
L-Metanephrine
ME105287
688084
C05588
6.63
198.1126
L-Methionine
Methionine
ME105288
6137
C00073
1.83
150.0582
L-Methionine S-oxide
Methionine sulfoxide
ME105289
158980
C02989
1.48
166.0534
L-Mimosine_1
Mimosine
ME105290
440473
C04771
3.43
199.0714
L-Mimosine_2
Mimosine
ME105291
440473
C04771
4.37
199.0714
L-Octanoylcarnitine
CAR 8:0
ME105292
11953814
C02838
10.05
288.2171
Lophophorine
Lophophorine
ME105293
28654
C09573
10.1
236.1282
L-ORNITHINE
Ornithine
ME105294
6262
C00077
0.66
133.0974
L-Phenylalanine_1
Phenylalanine
ME105295
6140
C00079
6.37
166.0864
L-Phenylalanine_2
Phenylalanine
ME105296
6140
C00079
8.71
166.0865
L-Pipecolate
Pipecolic acid
ME105297
439227
C00408
4.34
130.0865
L-Proline
Proline
ME105298
145742
C00148
2.07
116.0711
L-SERINE
Serine
ME105299
5951
C00065
0.74
106.0504
L-Threonine
Threonine
ME105300
6288
C00188
1.06
120.0659
L-Tryptophan
Tryptophan
ME105301
6305
C00078
7.73
205.0973
L-Tryptophanamide
Tryptophanamide
ME105302
439356
C00977
9.47
204.1137
L-Tyrosine_1
Tyrosine
ME105303
6057
C00082
8.65
276.0525
L-Tyrosine_2
Tyrosine
ME105304
6057
C00082
7.27
196.0966
L-Tyrosine methyl ester_1
Methyl tyrosinate
ME105305
70652
C03404
8.86
196.0966
L-Tyrosine methyl ester_2
Methyl tyrosinate
ME105306
70652
C03404
3.53
182.0812
L-Tyrosine methyl ester 4-sulfate
-
ME105307
21145083
C04201
8.11
182.0811
Lumichrome
Lumichrome
ME105308
5326566
C01727
8.17
243.0867
L-Urobilin
L-Urobilin
ME105309
5280818
C05793
10.03
595.3502
Luteolin
Luteolin
ME105310
5280445
C01514
6.49
144.0318
L-Valine
Valine
ME105311
6287
C00183
2.1
118.0867
M1
-
ME105312
-
C14206
7.6
304.0143
Maclurin
Maclurin
ME105313
68213
C09951
4.24
263.055
Maleimide
Maleimide
ME105314
10935
C07272
0.86
98.0242
Mallotophenone
Mallotophenone
ME105315
179090
C10708
9.51
405.1542
MANNOSE
Mannose
ME105316
18950
C00159
0.77
203.0526
m-Chlorophenylpiperazine
Mono-(3-carboxypropyl) phthalate
ME105317
1355
C11738
2.27
197.0844
(+)-Medicarpin
-
ME104133
73067
C01729
10.22
271.0969
Melamine
Melamine
ME105318
7955
C08737
3.1
127.0734
Melicopine
Melicopine
ME105319
68433
C10724
4.49
157.5551
Menadiol_1
Menadiol
ME105320
10209
C07126
9.45
175.0755
Menadiol_2
Menadiol
ME105321
10209
C07126
10.68
175.0755
Menadiol_3
Menadiol
ME105322
10209
C07126
11.62
175.0755
Menadione
Menadione
ME105323
4055
C05377
10.12
173.0599
Menadione sodium bisulfite
-
ME105324
23665888
C18378
6.33
139.0105
(-)-Menthone_1
Menthone
ME104119
26447
C00843
9.13
155.1432
(-)-Menthone_2
Menthone
ME104120
26447
C00843
10.83
155.1432
(-)-Menthyl acetate_1
Menthyl acetate
ME104121
27867
C09870
12.69
199.1694
(-)-Menthyl acetate_2
Menthyl acetate
ME104122
27867
C09870
15.15
199.1694
(-)-Menthyl acetate_3
Menthyl acetate
ME104123
27867
C09870
9.95
199.1694
(-)-Menthyl acetate_4
Menthyl acetate
ME104124
27867
C09870
10.9
199.1694
Meperidine
Meperidine
ME105325
4058
C07128
9.4
248.1647
Mescaline_1
Mescaline
ME105326
4076
C06546
6.69
212.128
Mescaline_2
Mescaline
ME105327
4076
C06546
7.6
212.1277
Mescaline_3
Mescaline
ME105328
4076
C06546
8.66
212.1281
Metaxalone_1
Metaxalone
ME105329
15459
C07934
10.59
222.1125
Metaxalone_2
Metaxalone
ME105330
15459
C07934
8.68
222.1124
Metazachlor
Metazachlor
ME105331
49384
C10948
9
278.1057
Meteloidine
-
ME105332
5281864
C10861
8.75
256.1543
Methamphetamine
Methamphetamine
ME105333
10836
C07164
7.84
150.1278
Methasulfocarb
-
ME105334
93362
C18746
7.38
262.0191
Methohexital
Methohexital
ME105335
9034
C07844
8.19
263.139
Methyl 2-diazoacetamidohexonate
Methyl 2-diazoacetamidohexonate
ME105336
439447
C01223
7.8
215.1257
METHYL BETA-D-GALACTOSIDE
Methyl beta-D-galactoside
ME105337
94214
C03619
0.89
193.0709
Methyldopa anhydrous_1
Methyldopa
ME105340
38853
C07194
6.48
212.0919
Methyldopa anhydrous_2
Methyldopa
ME105341
38853
C07194
9.69
212.092
Methyldopa anhydrous_3
Methyldopa
ME105342
38853
C07194
2.77
212.0917
Methyleugenol_1
Methyleugenol
ME105343
7127
C10454
13.22
179.1068
Methyleugenol_2
Methyleugenol
ME105344
7127
C10454
10.02
179.1067
Methyl farnesoate_1
-
ME105338
5275508
C16503
14.41
251.2005
Methyl farnesoate_2
-
ME105339
5275508
C16503
10.87
251.2005
METHYLMALONATE
Methylmalonic acid
ME105345
487
C02170
2.62
117.0188
Methylripariochromene A
Methylripariochromene A
ME105346
-
C09015
10.9
263.1274
Methyltrienolone
17beta-Hydroxy-17-methylestra-4,9,11-trien-3-one
ME105347
261000
C14257
8.63
285.1847
Metipranolol
Metipranolol
ME105348
31477
C07915
10.42
310.2013
Metoprolol
Metoprolol
ME105349
4171
C07202
8.88
268.1906
Metronidazole
Metronidazole
ME105350
4173
C07203
8.2
172.0722
Mexiletine
Mexiletine
ME105351
4178
C07220
6.86
180.1385
Midazolam_1
Midazolam
ME105352
4192
C07524
6.12
326.0869
Midazolam_2
Midazolam
ME105353
4192
C07524
7.45
326.0867
Midodrine_1
Midodrine
ME105354
4195
C07890
7.27
255.1337
Midodrine_2
Midodrine
ME105355
4195
C07890
5.72
255.1338
Miotine_1
Miotine
ME105356
46093
C11763
7.52
223.1438
Miotine_2
Miotine
ME105357
46093
C11763
8.5
223.1441
Miraxanthin-II
Miraxanthin-II
ME105358
5281201
C08555
10.88
327.0833
Montanin A
Montanin A
ME105359
442061
C09136
14.82
313.1436
Monuron
Monuron
ME105360
8800
C19087
1.66
199.0636
MTIC
MTIC
ME105361
5463137
C16250
1.94
169.0828
Mukaadial
Mukaadial
ME105362
159088
C09702
8.86
267.1581
MYO-INOSITOL
Myo-inositol
ME105363
892
C00137
0.81
179.0554
Myriocin_1
Myriocin
ME105364
6438394
C19914
10.92
402.2854
Myriocin_2
Myriocin
ME105365
6438394
C19914
9.9
402.2845
Myristoleic acid_1
Myristoleic acid
ME105366
5281119
C08322
12.97
227.2005
Myristoleic acid_2
Myristoleic acid
ME105367
5281119
C08322
11.24
227.2005
N1-Acetylspermidine_1
N1-Acetylspermidine
ME105388
496
C00612
0.89
188.1759
N1-Acetylspermidine_2
N1-Acetylspermidine
ME105389
496
C00612
6.18
188.1759
N1-Acetyl-tabtoxinine-beta-lactam
-
ME105390
92042784
C20921
2.09
231.0976
N1-Methyl-2-pyridone-5-carboxamide
N1-Methyl-2-pyridone-5-carboxamide
ME105391
69698
C05842
5.14
153.066
N1,N12-Diacetylspermine
N1,N12-Diacetylspermine
ME105387
132680
C03413
6.19
287.2439
N2'-Acetylgentamicin C1a
-
ME105392
16069998
C03524
8.45
492.3022
N2-Acetyl-L-aminoadipate_1
N-Acetyl-2-aminoadipic acid
ME105393
443992
C12986
0.86
204.0869
N2-Acetyl-L-aminoadipate_2
N-Acetyl-2-aminoadipic acid
ME105394
443992
C12986
5.75
204.0869
N2-Acetyl-L-aminoadipate_3
N-Acetyl-2-aminoadipic acid
ME105395
443992
C12986
1.91
204.0869
N2-Acetyl-L-aminoadipate_4
N-Acetyl-2-aminoadipic acid
ME105396
443992
C12986
7.07
204.0869
N2-Acetyl-L-aminoadipate_5
N-Acetyl-2-aminoadipic acid
ME105397
443992
C12986
9.47
204.0863
N2-Citryl-N6-acetyl-N6-hydroxy-L-lysine
-
ME105398
56927962
C20333
8.5
190.0701
N-(2-Methoxyphenyl)-N'-(2-naphtyl)urea
-
ME105370
443080
C11163
10.61
293.1278
N-(3-Oxododecanoyl)homoserine lactone
-
ME105371
127864
C11840
10.07
298.2015
N-(3-Oxohexanoyl)homoserine lactone
N-(3-Oxo-hexanoyl)-homoserine lactone
ME105372
119133
C11839
7.58
214.1074
N-(3-Oxooctanoyl)homoserine lactone
N-(3-Oxo-octanoyl)-homoserine lactone
ME105373
127293
C11841
8.62
242.1386
N6-Acetyl-N6-hydroxy-L-lysine
N(6)-Acetyl-N(6)-hydroxy-lysine
ME105400
128888
C03955
6.16
205.1191
N-(6-Aminohexanoyl)-6-aminohexanoate_1
-
ME105374
5245705
C01255
7.11
245.1862
N-(6-Aminohexanoyl)-6-aminohexanoate_2
-
ME105375
5245705
C01255
8.05
245.186
N6-Methyl-L-lysine_1
N(6)-Methyllysine
ME105401
164795
C02728
0.73
161.1286
N6-Methyl-L-lysine_2
N(6)-Methyllysine
ME105402
164795
C02728
2.02
161.1287
N6,N6-Dimethyladenosine
N(6),N(6)-Dimethyladenosine
ME105399
440004
C03416
6.35
296.1355
N-Acetoxy-4-aminobiphenyl
-
ME105403
189661
C03621
10.5
228.1021
N-Acetylaspartylglutamate
N-Acetyl-Asp-Glu
ME105404
188803
C12270
3.13
305.0978
N-Acetyl-D-fucosamine
N-Acetyl-D-fucosamine
ME105405
11954186
C15480
7.49
206.1024
N-ACETYL-D-GALACTOSAMINE
N-Acetylgalactosamine
ME105406
35717
C01132
0.87
244.0794
N-Acetyl-D-glucosaminate
N-acetyl-glucosaminic acid
ME105407
16126799
C01133
2.02
238.092
N-ACETYL-DL-GLUTAMIC ACID
N-Acetylglutamic acid
ME105408
185
-
2.26
190.0711
N-ACETYL-DL-SERINE
N-Acetylserine
ME105409
352294
-
1.12
148.0605
N-Acetyl-D-tryptophan
N-Acetyl-D-tryptophan
ME105410
439917
C03137
9.54
247.1076
N-ACETYL-L-ASPARTIC ACID
N-Acetylaspartic acid
ME105411
65065
C01042
1.56
176.0556
N-Acetyl-L-citrulline
N-Acetylcitrulline
ME105412
656979
C15532
2.24
218.1135
N-Acetyl-L-glutamate_1
N-Acetylglutamic acid
ME105413
70914
C00624
2.04
174.0761
N-Acetyl-L-glutamate_2
N-Acetylglutamic acid
ME105414
70914
C00624
1.18
174.0765
N-Acetyl-L-glutamate 5-semialdehyde_1
N-Acetyl-glutamate 5-semialdehyde
ME105415
192878
C01250
3.48
174.0762
N-Acetyl-L-glutamate 5-semialdehyde_2
N-Acetyl-glutamate 5-semialdehyde
ME105416
192878
C01250
14.93
190.0714
N-Acetyl-L-glutamate 5-semialdehyde_3
N-Acetyl-glutamate 5-semialdehyde
ME105417
192878
C01250
3.6
190.0711
N-Acetyl-L-histidine_1
N-Acetylhistidine
ME105418
75619
C02997
1.16
198.0873
N-Acetyl-L-histidine_2
N-Acetylhistidine
ME105419
75619
C02997
6.33
198.0873
N-ACETYL-L-LEUCINE
N-Acetylleucine
ME105421
75619
C02997
8.23
174.1126
N-Acetyl-L-leucine_1
N-Acetylleucine
ME105420
75619
C02710
7.58
172.0971
N-Acetyl-L-leucine_2
N-Acetylleucine
ME105422
75619
C02710
7.23
174.1126
N-Acetyl-L-phenylalanine_1
N-Acetylphenylalanine
ME105423
74839
C03519
8.87
208.0969
N-Acetyl-L-phenylalanine_2
N-Acetylphenylalanine
ME105424
74839
C03519
9.75
208.097
N-Acetylmethionine_1
N-Acetylmethionine
ME105425
448580
C02712
3.12
192.069
N-Acetylmethionine_2
N-Acetylmethionine
ME105426
448580
C02712
1.51
192.069
N-Acetylmuramic acid 6-phosphate
N-Acetylmuramic acid 6-phosphate
ME105427
24798720
C16698
8.94
374.0842
N-ACETYLNEURAMINATE
N-Acetylneuraminic acid
ME105428
439197
C00270
0.87
310.1134
N-Acetylornithine_1
N-Acetylornithine
ME105429
439232
C00437
7.95
175.1081
N-Acetylornithine_2
N-Acetylornithine
ME105430
439232
C00437
1.92
175.1078
N-(Acetyloxy)benzenamine_1
N-(Acetyloxy)benzenamine
ME105376
153367
C02709
8.02
152.0708
N-(Acetyloxy)benzenamine_2
N-(Acetyloxy)benzenamine
ME105377
153367
C02709
6.48
152.0708
N-(Acetyloxy)benzenamine_3
N-(Acetyloxy)benzenamine
ME105378
153367
C02709
2.94
152.0707
N-(Acetyloxy)benzenamine_4
N-(Acetyloxy)benzenamine
ME105379
153367
C02709
8.99
152.0708
N-ACETYLPUTRESCINE
N-Acetylputrescine
ME105431
122356
C02714
1.17
131.1182
N(alpha)-Benzyloxycarbonyl-L-leucine_1
N-Benzyloxycarbonyl-L-leucine
ME105380
74840
C04335
8.5
266.1386
N(alpha)-Benzyloxycarbonyl-L-leucine_2
N-Benzyloxycarbonyl-L-leucine
ME105381
74840
C04335
10.2
266.1386
N-Amidino-L-glutamate
alpha-Guanidinoglutaric acid
ME105432
135313
C03140
1.94
190.0824
Naphthalene-1,2-diol
Naphthalene-1,2-diol
ME105433
11318
C03012
8.49
161.06
Naringenin
Naringenin
ME105434
439246
C00509
9.66
273.0759
Naringenin 7-O-beta-D-glucoside
Naringenin 7-O-beta-D-glucoside
ME105435
92794
C09099
10
435.1284
N-Benzyloxycarbonylglycine
N-Benzyloxycarbonylglycine
ME105436
14349
C03710
8.65
210.0762
NBMPR
-
ME105437
65407
C20439
10.09
420.0971
N-Caffeoylputrescine
N-Caffeoylputrescine
ME105438
5280559
C03002
7.6
251.1385
N-Carbamoyl-L-aspartate
Carbamoylaspartate
ME105439
93072
C00438
1.16
177.0508
N-Carbamyl-L-glutamate
Carglumic acid
ME105440
121396
C05829
10.23
191.0659
N-Cyclohexylformamide_1
N-Cyclohexylformamide
ME105441
13017
C11519
8.18
128.1072
N-Cyclohexylformamide_2
N-Cyclohexylformamide
ME105442
13017
C11519
6.53
128.1072
N-Cyclopropylammeline
-
ME105443
6321196
C14148
6.41
168.0888
n-Decanohydroxamic acid_1
N-Decanohydroxamic acid
ME105444
142752
C12889
7.88
188.1647
n-Decanohydroxamic acid_2
N-Decanohydroxamic acid
ME105445
142752
C12889
8.7
188.1646
N-D-Glucosylarylamine_1
N-D-Glucosylarylamine
ME105446
439919
C03142
7.4
256.1181
N-D-Glucosylarylamine_2
N-D-Glucosylarylamine
ME105447
439919
C03142
8.58
256.1181
N-D-Glucosylarylamine_3
N-D-Glucosylarylamine
ME105448
439919
C03142
3.8
256.1178
N-Dimethyl-2-aminoethylphosphonate
2-Dimethylaminoethylphosphonic acid
ME105449
97588
C05680
5.13
154.063
Nebularine
Nebularine
ME105450
68368
C01736
6.92
253.0932
Neopterin_1
Neopterin
ME105451
4455
C05926
1.5
254.0884
Neopterin_2
Neopterin
ME105452
4455
C05926
6.13
254.0882
Neostigmine bromide
Neostigmine bromide
ME105453
8246
C08197
6.72
303.071
NEPSILON,NEPSILON,NEPSILON-TRIMETHYLLYSINE
N-6-Trimethyllysine
ME105454
440120
C03793
0.75
189.16
N-Ethylmaleimide-S-glutathione
-
ME105455
126950
C11370
9.17
431.1228
Netilmicin
Netilmicin
ME105456
441306
C07657
8.07
476.3068
Nevirapine_1
Nevirapine
ME105457
4463
C07263
8.05
267.1233
Nevirapine_2
Nevirapine
ME105458
4463
C07263
9.02
267.1228
N-Feruloylglycine
N-Feruloylglycine
ME105459
25245295
C02564
8.5
252.0864
N-Formimino-L-aspartate
N-Formimidoyl-aspartic acid
ME105460
440000
C03409
4.56
161.0558
N-Formimino-L-glutamate
Formiminoglutamic acid
ME105461
439233
C00439
1.09
175.0716
N-Formyl-4-amino-5-aminomethyl-2-methylpyrimidine
-
ME105462
597195
C19872
1.76
167.093
N-Formyl-L-aspartate
N-Formyl-aspartic acid
ME105463
5460069
C01044
7.03
162.039
N-Formylmethionine_1
N-Formylmethionine
ME105464
6995182
C03145
1.1
178.0533
N-Formylmethionine_2
N-Formylmethionine
ME105465
6995182
C03145
4.15
178.0533
N-Guanylhistamine
-
ME105466
167717
C07454
2.57
154.1088
N-Heptanoylhomoserine lactone
N-Heptanoyl-homoserine lactone
ME105467
443437
C11844
10.19
214.1439
N-Hydroxy-4-aminobiphenyl
N-Hydroxy-4-aminobiphenyl
ME105468
81261
C03622
3.77
186.0906
N-Hydroxy-L-valine
N-Hydroxy-valine
ME105469
22859863
C20313
0.91
134.0813
Nicarbazin
-
ME105470
9507
C18389
10.54
427.1369
Nicotianamine
(R,S,S)-Nicotianamine
ME105471
9882882
C05324
7.2
304.1505
Nicotinamide
Niacinamide
ME105472
936
C00153
1.68
123.0557
Nicotine
Nicotine
ME105473
89594
C00745
6.17
163.1231
Nicotinurate
Nicotinuric acid
ME105474
68499
C05380
7.58
181.061
Nicotyrine_1
Nicotyrine
ME105475
10249
C10161
4.78
159.0919
Nicotyrine_2
Nicotyrine
ME105476
10249
C10161
6.78
159.0916
Nifedipine
Nifedipine
ME105477
4485
C07266
13.9
347.125
Nifuradene
-
ME105478
9568055
C19272
7.96
225.0613
Nifurthiazole
-
ME105479
3607071
C19240
6.86
255.0188
N-Isopropylammelide_1
N-Isopropylammelide
ME105480
441083
C06553
2.17
171.0876
N-Isopropylammelide_2
N-Isopropylammelide
ME105481
441083
C06553
6.44
171.0875
N-Isopropylammelide_3
N-Isopropylammelide
ME105482
441083
C06553
3.94
171.0882
N-Isopropylammelide_4
N-Isopropylammelide
ME105483
441083
C06553
4.8
171.0879
Nithiazide
-
ME105484
8776
C19468
6.93
217.0383
Nitralin
-
ME105485
20848
C19064
9.13
173.5576
Nitramine
N-Methyl-N-picrylnitramine
ME105486
10178
C10163
7.02
170.1541
Nitrovin
-
ME105487
6252910
C19487
9.95
361.0897
N-(L-Arginino)succinate
Argininosuccinic acid
ME105382
16950
C03406
10.93
291.1305
N-Methyl-2-pyrrolidinone_1
2-Pyrrolidinone
ME105489
13387
C11118
5.09
100.0763
N-Methyl-2-pyrrolidinone_2
2-Pyrrolidinone
ME105490
13387
C11118
6.64
100.0763
N-Methylaniline
N-Methylaniline
ME105491
7515
C02299
6.49
108.0813
N-Methylethanolamine phosphate
N-Methylethanolamine phosphate
ME105492
25201132
C01210
0.67
156.0424
N-Methylhexanamide_1
N-Methyl hexanamide
ME105493
439790
C02722
0.79
130.1228
N-Methylhexanamide_2
N-Methyl hexanamide
ME105494
439790
C02722
4.74
130.1229
N-Methylpelletierine_1
Methylisopelletierine
ME105495
86786
C06184
8.22
156.1384
N-Methylpelletierine_2
Methylisopelletierine
ME105496
86786
C06184
6.75
156.1385
N-Methyl-(R,S)-tetrahydrobenzylisoquinoline
-
ME105488
440630
C05314
8.45
238.1598
N-Methyltryptamine
N-Methyltryptamine
ME105497
6088
C06213
7.28
175.1232
N-Monomethyl-2-aminoethylphosphonate
-
ME105498
281241
C05679
2.07
140.0476
N,N-Dihydroxy-L-tyrosine
N,N-Dihydroxy-tyrosine
ME105385
5461147
C15503
6.72
214.0712
N,N'-Dimethylurea
N,N-Dimethylurea
ME105386
7293
C16364
0.75
89.0717
N'-Nitrosoanabasine
-
ME105499
14335
C19477
6.49
192.1132
N'-Nitrosoanatabine
N-Arachidonoyl taurine
ME105500
51291
C19478
8.05
190.0974
N-Nitrosodiethylamine
N-Nitrosodiethylamine
ME105501
5921
C14422
0.76
103.0872
N-Nitrosodi-n-butylamine_1
-
ME105502
13542
C19277
0.72
159.1494
N-Nitrosodi-n-butylamine_2
-
ME105503
13542
C19277
4.37
159.1493
N-Nitrosoguvacoline
-
ME105504
62103
C19482
1.25
171.0764
N-Nitrosopiperidine
-
ME105505
7526
C19284
0.88
115.0869
N-Nitrosoproline
N-Nitrosoproline
ME105506
24141
C19485
4.21
145.0608
Nona-2,6-dienal
-
ME105507
643731
C08499
9.81
139.1119
Nonane-4,6-dione_1
Nonane-4,6-dione
ME105508
26454
C02445
9.87
157.1224
Nonane-4,6-dione_2
Nonane-4,6-dione
ME105509
26454
C02445
12.06
157.1224
Nonanoic acid_1
Pelargonic acid
ME105510
8158
C01601
13.81
159.1381
Nonanoic acid_2
Pelargonic acid
ME105511
8158
C01601
10.41
159.1381
(+)-Norephedrine_1
Phenylpropanolamine
ME104134
26934
C02343
6.42
152.1071
(+)-Norephedrine_2
Phenylpropanolamine
ME104135
26934
C02343
7.45
152.1071
Northienamycin_1
-
ME105512
132448
C17369
7.65
130.0416
Northienamycin_2
-
ME105513
132448
C17369
5.07
259.0747
N(PAI)-METHYL-L-HISTIDINE
3-Methylhistidine
ME105383
64969
C01152
0.73
170.0927
N(pi)-Methyl-L-histidine
3-Methylhistidine
ME105384
64969
C01152
4.28
170.0929
N-((R)-Pantothenoyl)-L-cysteine_1
-
ME105368
440217
C04079
8.25
162.0676
N-((R)-Pantothenoyl)-L-cysteine_2
-
ME105369
440217
C04079
9.92
162.0676
N-Succinyl-L-glutamate
N2-Succinylglutamate
ME105514
440847
C05931
3.69
248.0765
N-Succinyl-LL-2,6-diaminoheptanedioate
N-Succinyl-L,L-2,6-diaminopimelate
ME105515
440333
C04421
9.43
291.1195
N-Sulfo-D-glucosamine_1
N-Sulfo-glucosamine
ME105516
453619
C01075
3.15
130.526
N-Sulfo-D-glucosamine_2
N-Sulfo-glucosamine
ME105517
453619
C01075
6.57
130.526
N-Trimethyl-2-aminoethylphosphonate_1
-
ME105518
1014
C06459
8.79
169.0861
N-Trimethyl-2-aminoethylphosphonate_2
-
ME105519
1014
C06459
7.87
169.0862
Nupharamine
-
ME105520
10911986
C17464
9.72
252.1958
N-Vinyl-2-pyrrolidone_1
-
ME105521
6917
C19548
4.46
112.0762
N-Vinyl-2-pyrrolidone_2
-
ME105522
6917
C19548
1.68
112.0762
Oblongolide_1
Oblongolide
ME105523
176630
C09519
15.56
221.1538
Oblongolide_2
Oblongolide
ME105524
176630
C09519
14.04
221.1538
O-Butanoylcarnitine
CAR 4:0
ME105525
213144
C02862
7.53
232.1542
O-Carbamoyl-L-serine
O-Carbamoyl-serine
ME105526
439881
C03015
0.75
149.0559
Octylamine
Octylamine
ME105527
8143
C01740
8.3
130.1593
O-Decanoyl-L-carnitine
CAR 10:0
ME105528
11953821
C03299
11.52
316.248
Omethoate
Omethoate
ME105529
14210
C18662
3.52
214.03
O-Phospho-L-homoserine
O-Phosphohomoserine
ME105530
151187
C01102
8.06
200.0323
O-Propanoylcarnitine_1
CAR 3:0
ME105531
188824
C03017
6.84
218.1387
O-Propanoylcarnitine_2
CAR 3:0
ME105532
188824
C03017
9.01
218.1387
Orcinol_1
Orcinol
ME105533
10436
C00727
7.95
125.06
Orcinol_2
Orcinol
ME105534
10436
C00727
6.49
125.06
Orcinol_3
Orcinol
ME105535
10436
C00727
2.92
125.0601
ortho-Anisidine
-
ME105536
7000
C19191
6.26
124.076
Orthophosphate
Phosphoric acid
ME105537
-
C00009
1.08
98.9848
Oryzalin
Oryzalin
ME105538
29393
C18877
6.84
174.0551
Oseltamivir
Oseltamivir
ME105539
65028
C08092
11.09
313.212
O-Succinyl-L-homoserine
o-Succinylhomoserine
ME105540
439406
C01118
3.38
220.0815
Otonecine_1
Otonecine
ME105541
5281740
C10356
8.44
186.1127
Otonecine_2
Otonecine
ME105542
5281740
C10356
2.14
186.1126
Otonecine_3
Otonecine
ME105543
5281740
C10356
3.74
186.1126
Oxidized Latia luciferin_1
4-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-2-butanone
ME105544
519382
C03527
14.46
195.1745
Oxidized Latia luciferin_2
4-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-2-butanone
ME105545
519382
C03527
11.2
195.1746
Oxidized Latia luciferin_3
4-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-2-butanone
ME105546
519382
C03527
8.89
195.1746
Oxidized Oplophorus luciferin
-
ME105547
5326781
C15038
10.48
206.5859
Ozagrel hydrochloride
-
ME105548
6438130
C13144
6.91
265.0739
p-Aminobenzamidine dihydrochloride
-
ME105549
75626
C11628
9.03
208.0394
Panfuran S
-
ME105550
6414792
C19289
2.86
294.0846
Pantothenate
Pantothenic acid
ME105551
988
C00864
6.72
220.1179
Pantothenol
Pantothenol
ME105552
131204
C05944
6.51
206.1389
Paramethadione_1
Paramethadione
ME105553
8280
C07411
7.12
158.0813
Paramethadione_2
Paramethadione
ME105554
8280
C07411
2.85
158.0813
Parsonsine
Parsonsine
ME105555
15060933
C10357
10.85
440.2285
p-Benzoquinone
Quinone
ME105556
4650
C00472
1.93
109.029
p-Benzosemiquinone
-
ME105557
46173720
C02389
2.93
110.0358
p-Cumate_1
4-Isopropylbenzoic acid
ME105558
3417835
C06578
9.72
165.0912
p-Cumate_2
4-Isopropylbenzoic acid
ME105559
3417835
C06578
7.67
165.0912
p-Cumate_3
4-Isopropylbenzoic acid
ME105560
3417835
C06578
8.6
165.0911
p-Cumate_4
4-Isopropylbenzoic acid
ME105561
3417835
C06578
14.04
165.0912
p-Cymene_1
p-Cymene
ME105562
7463
C06575
9.16
135.117
p-Cymene_2
p-Cymene
ME105563
7463
C06575
8.33
135.117
p-Cymene_3
p-Cymene
ME105564
7463
C06575
6.75
135.117
Pendimethalin
Pendimethalin
ME105565
38479
C11019
6.46
282.1446
Penicillenic acid_1
-
ME105566
44146921
C11747
2.26
245.06
Penicillenic acid_2
-
ME105567
44146921
C11747
3.78
245.059
Pentahomomethionine
Pentahomomethionine
ME105568
46878443
C17229
9.47
220.1365
Pentalenene
Pentalenene
ME105569
194140
C01841
11.98
205.1951
Pentanoate_1
Valeric acid
ME105570
7991
C00803
12.53
103.0757
Pentanoate_2
Valeric acid
ME105571
7991
C00803
1.55
103.0759
Pentanoate_3
Valeric acid
ME105572
7991
C00803
6.65
103.0758
Pentobarbital_1
Pentobarbital
ME105573
4737
C07422
6.41
227.139
Pentobarbital_2
Pentobarbital
ME105574
4737
C07422
7.7
227.1391
Phaseollidin
Phaseollidin
ME105575
119268
C05230
14.11
325.1436
Phaseollidin hydrate
Phaseollidin hydrate
ME105576
440593
C05229
14.7
343.1539
Phenacetin_1
Phenacetin
ME105577
4754
C07591
6.48
180.1019
Phenacetin_2
Phenacetin
ME105578
4754
C07591
10.23
180.1019
Phenanthrene-4,5-dicarboxylate
-
ME105579
95075
C18252
7.17
134.0365
Phendimetrazine_1
Phendimetrazine
ME105580
12460
C07904
7.63
192.1385
Phendimetrazine_2
Phendimetrazine
ME105581
12460
C07904
11.19
192.1384
Phenmetrazine
Phenmetrazine
ME105582
4762
C07432
7.32
178.1227
Phenol
Phenol
ME105583
996
C00146
8.06
95.0497
Phenolphthalin
Phenolphthalin
ME105584
66494
C14223
9.68
161.0599
Phensuximide
Phensuximide
ME105585
6839
C07437
8.9
190.0863
Phenylacetaldehyde_1
Phenylacetaldehyde
ME105589
998
C00601
4.79
121.0652
Phenylacetaldehyde_2
Phenylacetaldehyde
ME105590
998
C00601
6.26
121.0652
Phenylacetaldehyde_3
Phenylacetaldehyde
ME105591
998
C00601
7.49
121.065
Phenylacetaldehyde_4
Phenylacetaldehyde
ME105592
998
C00601
8.48
121.0652
Phenyl acetate_1
Phenyl acetate
ME105586
31229
C00548
8.48
137.0598
Phenyl acetate_2
Phenyl acetate
ME105587
31229
C00548
3.01
137.06
Phenyl acetate_3
Phenyl acetate
ME105588
31229
C00548
5.13
137.0599
Phenylacetylglutamine
alpha-N-Phenylacetylglutamine
ME105593
92258
C04148
8.05
265.1181
Phenylamil
Phenamil
ME105594
4755
C13752
1.87
153.5468
Phenylethyl alcohol_1
2-Phenylethanol
ME105595
6054
C05853
6.87
123.0808
Phenylethyl alcohol_2
2-Phenylethanol
ME105596
6054
C05853
8.87
123.0808
Phenylethyl alcohol_3
2-Phenylethanol
ME105597
6054
C05853
1.5
123.0796
Phenylpyruvate_1
Phenylpyruvic acid
ME105598
997
C00166
7.62
165.0549
Phenylpyruvate_2
Phenylpyruvic acid
ME105599
997
C00166
9.1
165.0548
Phenylpyruvate_3
Phenylpyruvic acid
ME105600
997
C00166
1.82
165.0554
Phosphamidon
-
ME105601
3032604
C18689
6.43
300.0764
Phosphoagmatine
-
ME105602
72734288
C02726
7.6
211.0948
PHOSPHOCHOLINE
Choline phosphate
ME105603
135437
-
0.75
184.0734
Phosphocreatine_1
Phosphocreatine
ME105604
587
C02305
5.35
212.0441
Phosphocreatine_2
Phosphocreatine
ME105605
587
C02305
1.57
212.0438
Phosphoenolpyruvate
Phosphoenolpyruvic acid
ME105606
1005
C00074
1.93
168.9891
Photinus luciferin
Photinus luciferin
ME105607
25245427
C02740
3.4
281.0058
Phthalate_1
Phthalic acid
ME105608
1017
C01606
13.66
167.034
Phthalate_2
Phthalic acid
ME105609
1017
C01606
16.82
167.034
p-Hydroxyphenylacetothiohydroximate_1
-
ME105610
46173870
C17239
4.13
184.0426
p-Hydroxyphenylacetothiohydroximate_2
-
ME105611
46173870
C17239
7.55
184.0417
Phytuberin
Phytuberin
ME105612
442387
C09709
12.88
295.1903
Piceatannol
Piceatannol
ME105613
667639
C05901
10.65
245.0809
Pilocarpine
Pilocarpine
ME105614
5910
C07474
8.25
209.1285
Pimelate_1
Pimelic acid
ME105615
385
C02656
8.49
161.0808
Pimelate_2
Pimelic acid
ME105616
385
C02656
2.03
161.081
Pimelate_3
Pimelic acid
ME105617
385
C02656
5.56
161.0809
Pimelate_4
Pimelic acid
ME105618
385
C02656
4.08
161.0809
Pimelate_5
Pimelic acid
ME105619
385
C02656
2.92
161.081
Pimelate_6
Pimelic acid
ME105620
385
C02656
1.18
161.081
Pimozide
Pimozide
ME105621
16362
C07566
9.04
462.2333
PIPECOLATE
Pipecolic acid
ME105622
849
C00408
1.28
130.0865
Piperazine adipate
-
ME105623
8905
C13811
6.91
233.1496
Piperidione_1
Piperidione
ME105624
6465
C17730
8.35
170.1176
Piperidione_2
Piperidione
ME105625
6465
C17730
2.39
170.1176
Pirbuterol
Pirbuterol
ME105626
4845
C07807
6.43
241.1545
Podocarpic acid
Podocarpic acid
ME105627
93017
C09171
10.3
275.1641
Podophyllotoxone
Podophyllotoxone
ME105628
443014
C10875
6.83
413.1243
Polysulfide
-
ME105629
-
C19692
0.7
122.9249
Porphobilinogen_1
Porphobilinogen
ME105630
1021
C00931
6.86
227.1027
Porphobilinogen_2
Porphobilinogen
ME105631
1021
C00931
3.07
227.1025
Potassium dibasic phosphate
-
ME105632
24450
C13197
0.74
174.896
Potassium sulfate
Sulfate
ME105633
24507
C13192
0.8
174.8867
Precocene II_1
Precocene II
ME105634
12565
C09018
14.31
221.1172
Precocene II_2
Precocene II
ME105635
12565
C09018
10.58
221.1176
Pregnan-21-al
Pregnan-21-al
ME105636
439338
C00891
11.05
303.2682
Pregnenolone
Pregnenolone
ME105637
8955
C01953
10.17
317.2478
Prenyl caffeate
Prenyl caffeate
ME105638
5281790
C10487
10.6
249.112
Procarbazine
Procarbazine
ME105639
4915
C07402
7.68
222.1601
Proclavaminic acid_1
Proclavaminic acid
ME105640
194953
C06658
1.05
203.1027
Proclavaminic acid_2
Proclavaminic acid
ME105641
194953
C06658
2.52
203.1028
Progesterone
Progesterone
ME105642
5994
C00410
9.7
315.2317
Proglinazine
-
ME105643
14621415
C19105
1.55
246.0742
Promacyl
-
ME105644
36733
C18955
9.64
278.175
Propane-1,2-diol
Propylene glycol
ME105645
1030
C00583
1.02
77.0605
Propanoate_1
Propionic acid
ME105646
1032
C00163
1.12
75.0449
Propanoate_2
Propionic acid
ME105647
1032
C00163
2.6
75.0449
Propiomazine
Propiomazine
ME105648
4940
C07405
3.6
341.1681
Propofol
Propofol
ME105649
4943
C07523
10.1
179.1431
Propyl cinnamate_1
Propyl cinnamate
ME105650
5270647
C06360
9.44
191.1067
Propyl cinnamate_2
Propyl cinnamate
ME105651
5270647
C06360
10.32
191.1064
Propynoate
Propynoic acid
ME105652
10110
C00804
6.4
71.0123
Prosulfocarb
-
ME105653
62020
C18760
9.73
252.1429
Prosulfuron
Prosulfuron
ME105654
91751
C10950
9.62
210.5521
Prothiocarb
-
ME105655
29697
C18943
7.72
191.121
Protopine
Protopine
ME105656
4970
C05189
8.59
177.5706
Protoporphyrinogen IX
Protoporphyrinogen IX
ME105657
121893
C01079
8.29
569.3142
Pseudopelletierine
psi-Pelletierine
ME105658
11096
C10865
7.35
154.1227
Psicofuranine_1
Angustmycin C
ME105659
65086
C05342
6.79
298.1146
Psicofuranine_2
Angustmycin C
ME105660
65086
C05342
5.62
298.1147
Pterin
Pterin
ME105661
73000
C00715
9.4
164.0562
Pulcherriminic acid
Pulcherriminic acid
ME105662
3083664
C20515
8.58
257.1496
PUTRESCINE
Putrescine
ME105663
1045
C00134
0.63
89.108
p-Xylene_1
p-Xylene
ME105664
7809
C06756
8.28
107.0861
p-Xylene_2
p-Xylene
ME105665
7809
C06756
9.19
107.0861
p-Xylene_3
p-Xylene
ME105666
7809
C06756
3.12
107.086
Pymetrozine
Pymetrozine
ME105667
9576037
C18590
7.48
218.1026
Pyocyanine
-
ME105668
6817
C01748
9.15
213.1016
Pyrazinamide
Pyrazinamide
ME105669
1046
C01956
6.34
124.0507
Pyrazinoic acid
Pyrazine-2-carboxylic ccid
ME105670
1047
C19915
1.54
125.0347
Pyridine
Pyridine
ME105671
1049
C00747
1.53
80.0502
Pyridoxal
Pyridoxal
ME105673
1050
C00250
7.32
168.0657
PYRIDOXAL
Pyridoxal
ME105672
1050
C00250
2
168.0658
Pyridoxamine
Pyridoxamine
ME105674
1052
C00534
6.47
169.0971
Pyridoxine_1
Pyridoxine
ME105675
1054
C00314
7.19
170.0812
Pyridoxine_2
Pyridoxine
ME105676
1054
C00314
2.04
170.0811
Pyridoxine_3
Pyridoxine
ME105677
1054
C00314
3.39
170.0813
Pyruvate_1
Pyruvic acid
ME105678
1060
C00022
0.95
104.0347
Pyruvate_2
Pyruvic acid
ME105679
1060
C00022
2.8
89.0233
Pyruvate oxime
-
ME105680
6400629
C02193
6.22
89.0235
Quercitrin
Quercitrin
ME105681
5280459
C01750
9.5
449.1086
Quinolinate
Quinolinic acid
ME105682
1066
C03722
1.72
168.0292
(R)-2,3-Dihydroxypropane-1-sulfonate
(2R)-3-sulfopropanediol
ME104161
49852441
C19675
5.74
157.0161
(R)-2-Hydroxybutane-1,2,4-tricarboxylate_1
Homocitric acid
ME104162
20849228
C01251
7.73
207.0493
(R)-2-Hydroxybutane-1,2,4-tricarboxylate_2
Homocitric acid
ME104163
20849228
C01251
6.04
207.049
Radium-226
-
ME105683
9877911
C16456
2.25
227.0323
Reduced FMN
FMNH
ME105684
445395
C01847
8.09
459.1293
Resveratrol_1
Resveratrol
ME105685
445154
C03582
9.95
229.086
Resveratrol_2
Resveratrol
ME105686
445154
C03582
8.9
229.0856
Retinoate
Retinoic acid
ME105687
444795
C00777
9.4
301.2161
Retinol
Retinol
ME105688
445354
C00473
10.49
287.2369
Retronecine_1
Retronecine
ME105689
10198
C06177
8.01
156.1021
Retronecine_2
Retronecine
ME105690
10198
C06177
2.24
156.1021
Retronecine_3
Retronecine
ME105691
10198
C06177
7.05
156.1021
Rhein
Rhein
ME105692
10168
C10401
6.68
143.0235
Rhododendrin
Rhododendrin
ME105693
442538
C09965
9.14
329.1592
(R)-(Homo)2-citrate
-
ME104158
24892801
C16583
4.03
221.0662
(R)-(Homo)3-citrate_1
-
ME104159
24892804
C16598
6.75
235.0803
(R)-(Homo)3-citrate_2
-
ME104160
24892804
C16598
9.91
235.0823
Riboflavin
Riboflavin
ME105694
493570
C00255
8.08
377.1455
Ricinine
Ricinine
ME105695
10666
C01526
6.14
165.066
Rilmenidine
Rilmenidine
ME105696
68712
C11120
8.07
181.1335
Ripazepam
-
ME105697
33474
C19518
10.95
269.1385
Rishitin
Rishitin
ME105698
108064
C09715
9.91
223.1693
(R)-Mevalonate_1
Mevalonic acid
ME104164
439230
C00418
0.9
149.081
(R)-Mevalonate_2
Mevalonic acid
ME104165
439230
C00418
7.16
149.081
(R)-Mevalonate_3
Mevalonic acid
ME104166
439230
C00418
3.12
149.0811
Robustaol A
Robustaol A
ME105699
442541
C09968
10.24
475.1942
Ruscopine
Ruscopine
ME105700
441579
C08510
9.45
307.2122
(S)-2,3,4,5-Tetrahydropyridine-2-carboxylate
(S)-1-Piperideine-6-carboxylic acid
ME104167
24771808
C00450
2.04
128.071
S-(2-Chloroacetyl)glutathione
-
ME105701
163913
C14864
3.11
192.5341
(S)-2-Chloropropanoate
-
ME104168
6999783
C20608
6.38
109.0051
S-(2-Hydroxyethyl)-N-acetyl-L-cysteine
N-Acetyl-S- (2-hydroxyethyl)-cysteine
ME105702
108009
C14876
2.65
208.0639
S-(2-Methylpropanoyl)-dihydrolipoamide
S-(2-Methylpropionyl)-dihydrolipoamide-E
ME105703
-
C04424
1.58
278.1232
(S)-6-Hydroxynicotine_1
(S)-6-Hydroxynicotine
ME104169
439383
C01056
7.84
179.1179
(S)-6-Hydroxynicotine_2
(S)-6-Hydroxynicotine
ME104170
439383
C01056
7.03
179.118
S-Acetyldihydrolipoamide
S-Acetyldihydrolipoamide
ME105708
1076
C01136
6.79
250.0936
S-Acetylphosphopantetheine_1
S-Acetylphosphopantetheine
ME105709
440096
C03725
8.72
201.06
S-Acetylphosphopantetheine_2
S-Acetylphosphopantetheine
ME105710
440096
C03725
7.19
201.0602
S-Adenosyl-L-homocysteine
S-Adenosylhomocysteine
ME105711
439155
C00021
4.97
193.0682
Sakuranin
Sakuranin
ME105712
348162
C17391
9.16
449.1424
S-Allyl-L-cysteine_1
S-Allylcysteine
ME105713
9793905
C16759
1.87
162.058
S-Allyl-L-cysteine_2
S-Allylcysteine
ME105714
9793905
C16759
3.44
162.0576
(S)-ATPA_1
(S)-ATPA
ME104171
447407
C13733
1.55
229.1185
(S)-ATPA_2
(S)-ATPA
ME104172
447407
C13733
7.6
229.1184
Savinin
Savinin
ME105715
5281867
C10880
10.67
353.1024
(S)-beta-Methylindolepyruvate
-
ME104173
440163
C03914
8.94
218.0814
Scopoletin_1
Scopoletin
ME105716
5280460
C01752
9.22
193.0497
Scopoletin_2
Scopoletin
ME105717
5280460
C01752
10.52
193.0499
Scorpioidin
Scorpioidin
ME105718
11953939
C09548
10.76
277.1435
Scytalone_1
Scytalone
ME105719
3477029
C00779
7.51
195.0655
Scytalone_2
Scytalone
ME105720
3477029
C00779
9.12
195.0654
Scytalone_3
Scytalone
ME105721
3477029
C00779
9.97
195.0654
(S)-Dihydroorotate
4,5-Dihydroorotic acid
ME104174
439216
C00337
1.48
159.04
Sebacic acid_1
Sebacic acid
ME105722
5192
C08277
8.25
203.1279
Sebacic acid_2
Sebacic acid
ME105723
5192
C08277
9.94
203.1279
Semicarbazide hydrochloride
Semicarbazide
ME105724
11236
C19521
6.2
112.0271
Sepiapterin
Sepiapterin
ME105725
5200
C00835
3.38
238.0935
Sergeolide
Sergeolide
ME105726
134025
C08782
10.46
505.1684
Serotonin
Serotonin
ME105727
5202
C00780
6.95
177.1023
Shikimate_1
Shikimic acid
ME105728
8742
C00493
8.72
175.0598
Shikimate_2
Shikimic acid
ME105729
8742
C00493
1.66
175.0603
S-(Hydroxyphenylacetothiohydroximoyl)-L-cysteine_1
-
ME105704
46173869
C17238
6.8
271.0745
S-(Hydroxyphenylacetothiohydroximoyl)-L-cysteine_2
-
ME105705
46173869
C17238
7.74
136.041
Sinapyl alcohol
Sinapyl alcohol
ME105730
5280507
C02325
9.83
211.0966
Slaframine
Slaframine
ME105731
88363
C06185
7.44
199.1441
S-Methyl-1-thio-D-glycerate
-
ME105732
440126
C03804
1.26
137.027
sn-Glycero-3-phosphocholine
sn-Glycero-3-phosphocholine
ME105733
657272
C00670
9.33
259.1178
Sodium ortho-phenylphenate
-
ME105734
23675735
C19298
9.13
193.0624
Sodium salicylate
Salicylic acid
ME105735
16760658
C07587
0.8
161.0212
Sodium sulfate
Sulfate
ME105736
24436
C13199
0.79
142.9388
Sorgolactone
Sorgolactone
ME105737
5281395
C09186
9.8
317.1383
Spectinomycin dihydrochloride
Spectinomycin
ME105738
64740
C11619
9.98
405.1182
Spermidine
Spermidine
ME105740
1102
C00315
6.91
146.1653
SPERMIDINE
Spermidine
ME105739
1102
C00315
0.61
146.1653
S-(Phenylacetothiohydroximoyl)-L-cysteine
-
ME105706
25246415
C17237
8.57
255.0797
S-Ribosyl-L-homocysteine_1
S-Ribosylhomocysteine
ME105741
24798681
C03539
9.32
268.0855
S-Ribosyl-L-homocysteine_2
S-Ribosylhomocysteine
ME105742
24798681
C03539
9.33
134.5464
S,S-Dimethyl-beta-propiothetin
S,S-Dimethyl-beta-propiothetin
ME105707
23736
C04022
1.93
135.0475
S-Succinyldihydrolipoamide
S(8)-Succinyldihydrolipoamide
ME105743
11953795
C01169
6.11
308.0992
Stearidonic acid
Stearidonic acid
ME105744
5312508
C16300
10.21
277.2164
Sterigmatocystin
Sterigmatocystin
ME105745
5280389
C00961
10.22
325.071
Streptobiosamine_1
Streptobiosamine
ME105746
20056682
C07655
7.5
338.1443
Streptobiosamine_2
Streptobiosamine
ME105747
20056682
C07655
4.96
338.1444
Strigolactone ABC-rings_1
-
ME105748
46174042
C18036
9.61
235.1328
Strigolactone ABC-rings_2
-
ME105749
46174042
C18036
10.57
235.1323
Stylopine
(S)-Stylopine
ME105750
6770
C05175
8.27
162.5654
Styrene
Styrene
ME105751
7501
C07083
7.51
105.0703
Suberic acid_1
Suberic acid
ME105752
10457
C08278
8.66
175.0966
Suberic acid_2
Suberic acid
ME105753
10457
C08278
7.17
175.0964
Succinate_1
Succinic acid
ME105754
1110
C00042
2.68
119.0342
Succinate_2
Succinic acid
ME105755
1110
C00042
5.37
119.0341
Succinic anhydride_1
Succinic anhydride
ME105756
7922
C19524
1.19
101.0239
Succinic anhydride_2
Succinic anhydride
ME105757
7922
C19524
2.4
101.0238
Succinimide
Succinimide
ME105758
11439
C07273
1.37
100.0399
Succinylproline_1
Succinylproline
ME105759
194156
C11711
1.6
216.0867
Succinylproline_2
Succinylproline
ME105760
194156
C11711
8.76
216.0867
Sulbactam
Sulbactam
ME105761
130313
C07770
5.02
234.0429
Sulbactam sodium
Sulbactam sodium
ME105762
23663973
C14001
5.13
256.0251
Sulcatone_1
Sulcatone
ME105763
9862
C07287
8.56
127.1121
Sulcatone_2
Sulcatone
ME105764
9862
C07287
9.84
127.1121
Sulcatone_3
Sulcatone
ME105765
9862
C07287
6.65
127.1121
Sulfoquinovose_1
Sulfoquinovose
ME105766
10880539
C20829
1.87
245.0335
Sulfoquinovose_2
Sulfoquinovose
ME105767
10880539
C20829
4.74
245.0333
(-)-Sympatol
D-Synephrine
ME104125
854067
C01869
6.82
168.1019
Syringin
Syringin
ME105768
5316860
C01533
8.39
373.1489
Tabtoxin
-
ME105769
107817
C20917
4.6
290.1345
Tabtoxinine-beta-lactam
-
ME105770
115314
C20918
1.4
189.0871
Taurine
Taurine
ME105772
1123
C00245
3.43
126.0219
TAURINE
Taurine
ME105771
1123
C00245
0.74
126.0224
Tauropine_1
Tauropine
ME105773
3082376
C01616
1.02
198.0434
Tauropine_2
Tauropine
ME105774
3082376
C01616
4.24
198.0438
Tebuconazole_1
-
ME105775
86102
C18489
9.3
308.1528
Tebuconazole_2
-
ME105776
86102
C18489
6.94
308.1527
Tebuconazole_3
-
ME105777
86102
C18489
2.93
308.1528
Temazepam
Temazepam
ME105778
5391
C07125
11.54
301.0753
Terbutaline_1
Terbutaline
ME105779
5403
C07129
9.64
226.1437
Terbutaline_2
Terbutaline
ME105780
5403
C07129
10.57
226.1437
Testolate
Testolic acid
ME105781
439534
C01618
10.75
321.2062
Testololactone
-
ME105782
160753
C04676
9.4
303.1967
Testosterone glucuronide
Testosterone glucuronide
ME105783
108192
C11134
10.17
465.2482
Tetrahomomethionine
Tetrahomomethionine
ME105784
46878442
C17225
8.76
206.121
Tetrahydrocortisone
Tetrahydrocortisone
ME105785
5866
C05470
9.58
365.2319
Tetralin_1
Tetralin
ME105786
8404
C14114
8.9
133.1014
Tetralin_2
Tetralin
ME105787
8404
C14114
7.69
133.1015
Tetralin_3
Tetralin
ME105788
8404
C14114
10.1
133.1014
Tetralin_4
Tetralin
ME105789
8404
C14114
11.11
133.1014
Tetraneurin A
Tetraneurin A
ME105790
174868
C09559
11.43
323.1485
Thalidomide
Thalidomide
ME105791
5426
C07910
9.01
259.0725
Theophylline_1
Theophylline
ME105792
2153
C07130
7.41
181.0719
Theophylline_2
Theophylline
ME105793
2153
C07130
1.4
181.0718
Thiamphenicol
Thiamphenicol
ME105794
27200
C12853
8.24
356.0106
Thidiazuron_1
-
ME105795
40087
C18812
5.37
221.0494
Thidiazuron_2
-
ME105796
40087
C18812
2.28
221.0492
Thiobenzamide S,S-dioxide
-
ME105797
11949595
C16285
2.43
170.0268
Thiomorpholine 3-carboxylate
Thiomorpholine-3-carboxylic acid
ME105798
440159
C03901
1.48
148.0426
Thiorphan
Thiorphan
ME105799
3132
C01619
9.91
254.0846
THTA
2-Tetrahydrothiopheneacetic acid
ME105800
443065
C11072
5.23
147.0476
Thymidine
Thymidine
ME105801
5789
C00214
1.27
243.0976
THYMINE_1
Thymine
ME105802
1135
C00178
3.44
127.0505
THYMINE_2
Thymine
ME105803
1135
C00178
3.39
125.0348
Thymyl acetate_1
Thymol acetate
ME105804
68252
C09909
9.06
193.1226
Thymyl acetate_2
Thymol acetate
ME105805
68252
C09909
12.7
193.1227
Thymyl acetate_3
Thymol acetate
ME105806
68252
C09909
7.71
193.1226
Tioconazole
Tioconazole
ME105807
5482
C08082
3.41
386.9875
Tocainide
Tocainide
ME105808
38945
C07142
7.82
193.1332
Toluene_1
Toluene
ME105809
1140
C01455
9.09
93.0705
Toluene_2
Toluene
ME105810
1140
C01455
7.96
93.0705
Toluene-cis-dihydrodiol_1
(1S,2R)-3-Methylcyclohexa-3,5-diene-1,2-diol
ME105811
1141
C04592
6.11
127.0757
Toluene-cis-dihydrodiol_2
(1S,2R)-3-Methylcyclohexa-3,5-diene-1,2-diol
ME105812
1141
C04592
4.15
127.0757
Toluene-cis-dihydrodiol_3
(1S,2R)-3-Methylcyclohexa-3,5-diene-1,2-diol
ME105813
1141
C04592
7.38
127.0757
Tolylacetate_1
-
ME105814
-
C01963
9.44
151.0755
Tolylacetate_2
-
ME105815
-
C01963
6.9
151.0754
Tolylacetate_3
-
ME105816
-
C01963
11.62
151.0755
Topiramate
Topiramate
ME105817
5284627
C07502
8.29
170.5571
Tos-Arg-CH2Cl
-
ME105818
439646
C02087
7.66
333.1158
Tos-Lys-CH2Cl
-
ME105819
73094
C00896
10.86
333.1043
trans-1,2-Dichloroethene
trans-1,2-dichloroethene
ME105821
638186
C06791
0.1
96.9609
trans-4-Hydroxycyclohexanecarboxylate
4-Hydroxycyclohexylcarboxylic acid
ME105822
19034555
C04404
6.14
145.0861
TRANS-4-HYDROXYPROLINE
trans-4-Hydroxyproline
ME105823
11137200
C04397
0.76
130.0501
TRANS-CINNAMATE
trans-Cinnamic acid
ME105824
444539
C00423
9.91
149.0599
trans,trans-Farnesyl phosphate
-
ME105820
10357552
C20121
10.05
303.1707
Tranylcypromine
Tranylcypromine
ME105825
19493
C07155
9.45
134.0966
Traumatic acid_1
Traumatic acid
ME105826
5283028
C16308
9.24
229.1433
Traumatic acid_2
Traumatic acid
ME105827
5283028
C16308
10.61
229.1434
Tributyl phosphate
Tributyl phosphate
ME105828
31357
C14439
13.46
267.1718
Tributyrin
TG 4:0/4:0/4:0
ME105829
6050
C13870
10.22
303.1804
Triethanolamine
Triethanolamine
ME105830
7618
C06771
0.82
150.1126
Triglochinin
Triglochinin
ME105831
5281124
C08342
3.63
360.0926
Trihomomethionine_1
Trihomomethionine
ME105832
46878441
C17221
8.08
192.1052
Trihomomethionine_2
Trihomomethionine
ME105833
46878441
C17221
7.27
192.1048
Trimethylamine N-oxide
Trimethylamine N-oxide
ME105834
1145
C01104
0.94
76.0765
Triphenylsilanol
-
ME105835
69925
C14549
9.05
277.1046
Tris(butoxyethyl)phosphate
-
ME105836
6540
C14446
13.7
399.2512
Triticonazole
-
ME105837
6537961
C18815
10.69
318.1368
Tropine_1
Pseudotropine
ME105838
8424
C00729
1.88
142.1229
Tropine_2
Pseudotropine
ME105839
8424
C00729
8.9
142.1228
Tropine_3
Pseudotropine
ME105840
8424
C00729
6.53
142.1228
Tropinone
Tropinone
ME105841
446337
C00783
6.95
140.1071
Trp-P-1
-
ME105842
5284474
C19306
9.05
212.1184
Tryptamine
Tryptamine
ME105843
1150
C00398
8.19
161.1073
Tuberonic acid glucoside
Tuberonic acid glucoside
ME105844
52922085
C08558
9.13
389.1806
Tussilagine_1
Tussilagine
ME105845
185071
C10411
9.72
200.1281
Tussilagine_2
Tussilagine
ME105846
185071
C10411
3.78
200.1281
Tussilagine_3
Tussilagine
ME105847
185071
C10411
2.29
200.1281
Tyramine_1
Tyramine
ME105848
5610
C00483
4.78
138.0916
Tyramine_2
Tyramine
ME105849
5610
C00483
6.28
138.0915
Tyr-OEt
Ethyl tyrosinate
ME105850
70364
C01458
6.95
210.1124
Umbelliferone
Umbelliferone
ME105851
5281426
C09315
10.03
163.0387
URACIL
Uracil
ME105852
1174
C00106
1.47
113.0351
Uracil mustard
-
ME105853
6194
C11686
4.12
252.029
URATE
Uric acid
ME105854
1175
C00366
1.93
169.0356
Urate_1
Uric acid
ME105855
1175
C00366
6.89
169.0356
Urate_2
Uric acid
ME105856
1175
C00366
2.07
167.0204
Urate-3-ribonucleoside
3-(beta-D-Ribofuranosyl)uric acid
ME105857
-
C05513
6.88
301.0778
Ureidoacrylate
Ureidoacrylic acid
ME105858
1751484
C20254
1.54
131.0454
Uridine
Uridine
ME105859
6029
C00299
1.55
245.077
Urocanate
Urocanic acid
ME105861
1549103
-
3.06
139.0504
UROCANATE
Urocanic acid
ME105860
1549103
C00785
2.07
139.0504
Valclavam
Valclavam
ME105862
126919
C06668
7.48
330.1656
Valine
Valine
ME105863
6287
C16436
1.18
116.0709
Vanillyl alcohol_1
4-Hydroxy-3-methoxybenzenemethanol
ME105864
62348
C06317
8.48
155.0704
Vanillyl alcohol_2
4-Hydroxy-3-methoxybenzenemethanol
ME105865
62348
C06317
7.13
155.0704
Velloquercetin
Velloquercetin
ME105866
442663
C10194
8.77
185.0521
Vermelone_1
-
ME105867
173699
C01624
16.79
179.0703
Vermelone_2
-
ME105868
173699
C01624
8.37
179.0706
Verrucarin A
Verrucarin A
ME105869
6326658
C09746
9.99
503.2259
Versicolorin B_1
Versicolorin B
ME105870
107849
C20575
7.21
171.036
Versicolorin B_2
Versicolorin B
ME105871
107849
C20575
7.97
341.0657
(-)-Vestitone_1
Vestitone
ME104126
439310
C00786
10.52
287.0915
(-)-Vestitone_2
Vestitone
ME104127
439310
C00786
4.65
144.0495
Virol B
-
ME105872
10753985
C19994
10.98
263.2007
Vitexin
Vitexin
ME105873
5280441
C01460
8.88
433.1137
Warfarin
Warfarin
ME105874
54678486
C01541
9.33
155.0599
Wedelolactone
Wedelolactone
ME105875
5281813
C10541
10.48
315.0497
WIN VI
WIN VI
ME105876
1786
C06490
11.74
315.1705
Wyerone
Wyerone
ME105878
643733
C08465
10.01
259.0972
Xanthan_1
-
ME105879
7107
C01464
13.31
183.0805
Xanthan_2
-
ME105880
7107
C01464
10.61
183.0802
Xanthine_1
Xanthine
ME105881
1188
C00385
2.61
153.0409
Xanthine_2
Xanthine
ME105882
1188
C00385
6.61
153.0401
Xanthosine
Xanthosine
ME105883
64959
C01762
6.66
285.083
Xanthosine 5'-phosphate
XMP
ME105884
73323
C00655
9.71
365.0479
Xanthurenic acid
Xanthurenic acid
ME105885
5699
C02470
7.61
206.045
Xylitol
Xylitol
ME105887
6912
C00379
0.78
153.076
XYLITOL
Xylitol
ME105886
6912
C00379
0.77
175.0578
Xylobiose
Xylobiose
ME105888
-
C01630
6.82
283.1037
Yersiniabactin_1
Yersiniabactin
ME105889
5462519
C12038
8.08
241.5653
Yersiniabactin_2
Yersiniabactin
ME105890
5462519
C12038
8.05
482.1236
Zalcitabine_1
Zalcitabine
ME105891
24066
C07207
1.57
212.1031
Zalcitabine_2
Zalcitabine
ME105892
24066
C07207
3.71
212.1031
(Z)-But-1-ene-1,2,4-tricarboxylate
-
ME104175
5280640
C04002
4.69
189.0394
Zingerone_1
Zingerone
ME105893
31211
C17497
13.51
195.1017
Zingerone_2
Zingerone
ME105894
31211
C17497
9.83
195.1017
Zingerone_3
Zingerone
ME105895
31211
C17497
7.42
195.1014
Zinnimidine_1
Zinnimidine
ME105896
442878
C10626
14.64
262.1439
Zinnimidine_2
Zinnimidine
ME105897
442878
C10626
12.23
262.1439
Zinnimidine_3
Zinnimidine
ME105898
442878
C10626
11.23
262.144
Zoxamide
-
ME105899
122087
C18903
7.44
336.0322
Analysis: ESI Negative mode
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
10-Deacetyl-2-debenzoylbaccatin III
10-Deacetyl-2-debenzoylbaccatin III
ME105925
443489
C11899
11.21
439.1967
10-Oxodecanoate
10-Oxodecanoic acid
ME105926
19734156
C02217
9.68
185.1175
1,1-Diethyl-2-hydroxy-2-nitrosohydrazine_1
-
ME105922
107754
C13773
7.77
131.07
1,1-Diethyl-2-hydroxy-2-nitrosohydrazine_2
-
ME105923
107754
C13773
6.98
131.07
1,2-Dihydroxynaphthalene-6-sulfonate
-
ME105924
9543071
C16196
10.35
239.0017
12-trans-Hydroxy juvenile hormone III
-
ME105927
11011465
C16508
10.12
281.1757
14-Dihydroxycornestin
Cornexistin
ME105928
5281160
C08483
11.37
307.1186
1-(5-Phosphoribosyl)imidazole-4-acetate
1-(5-Phosphoribosyl)imidazole-4-acetate
ME105920
440341
C04437
8.19
337.0432
1alpha,5alpha-Epidithio-17a-oxa-D-homoandrostan-3,...
-
ME105929
11954165
C15390
10.51
365.1249
1alpha,5alpha-Epidithio-17a-oxa-D-homoandrostan-3,...
-
ME105930
11954165
C15390
6.82
365.125
1-(beta-D-Ribofuranosyl)-1,4-dihydronicotinamide
1-(beta-D-Ribofuranosyl)-1,4-dihydronicotinamide
ME105921
11507134
C15497
8.83
255.0985
1-Caffeoyl-4-deoxyquinic acid_1
-
ME105931
5281760
C10432
0.94
337.0939
1-Caffeoyl-4-deoxyquinic acid_2
-
ME105932
5281760
C10432
9.98
337.0927
(1E,3E)-4-Hydroxybuta-1,3-diene-1,2,4-tricarboxyla...
-
ME105900
54729370
C04324
0.81
201.0043
1-O-Galloyl-beta-D-glucose
1-O-Galloyl-beta-D-glucose
ME105933
124021
C01158
6.68
331.0669
1-O-Sinapoyl-beta-D-glucose_1
1-O-Sinapoyl-beta-D-glucose
ME105934
5280406
C01175
0.76
385.1139
1-O-Sinapoyl-beta-D-glucose_2
1-O-Sinapoyl-beta-D-glucose
ME105935
5280406
C01175
8.83
385.1138
1-O-Vanilloyl-beta-D-glucose_1
1-O-Vanilloyl-beta-D-glucose
ME105936
14132344
C20470
7
329.0872
1-O-Vanilloyl-beta-D-glucose_2
1-O-Vanilloyl-beta-D-glucose
ME105937
14132344
C20470
6.37
329.0873
1-O-Vanilloyl-beta-D-glucose_3
1-O-Vanilloyl-beta-D-glucose
ME105938
14132344
C20470
7.08
329.0874
1-O-Vanilloyl-beta-D-glucose_4
1-O-Vanilloyl-beta-D-glucose
ME105939
14132344
C20470
8.1
329.0873
(1-Ribosylimidazole)-4-acetate
Imidazoleacetic acid riboside
ME105901
440569
C05131
3.45
257.0776
2,2-Bis(4'-chlorophenyl)ethanol
2,2-bis(4-Chlorophenyl)ethanol
ME105944
17533
C06639
1.05
265.0199
2-(2-Chloro-phenyl)-5-(5-methylthiophen-2-yl)-[1,3...
-
ME105940
443277
C11570
7.28
275.0062
2,3-Dihydrothienamycin
-
ME105945
92042763
C20820
8.16
273.0911
2,3-Dihydroxy-p-cumate_1
-
ME105946
54675852
C06580
9.16
195.0653
2,3-Dihydroxy-p-cumate_2
-
ME105947
54675852
C06580
9.31
195.0655
2-(3'-Methylthio)propylmalic acid
2-(3-Methylthiopropyl)malic acid
ME105941
24883455
C17214
7.39
221.048
2,4-Bis(acetamido)-2,4,6-trideoxy-beta-L-altropyra...
-
ME105948
56927717
C19972
6.95
245.1138
2,4-Bis(acetamido)-2,4,6-trideoxy-beta-L-altropyra...
-
ME105949
56927717
C19972
6.02
245.1138
2,4-Dichlorotoluene
-
ME105950
7254
C18300
0.65
158.9773
2,4-Dinitro-1-(3-nitrophenoxy)benzene
-
ME105951
221812
C15297
8.08
304.0215
2,4-Dinitrophenol
2,4-Dinitrophenol
ME105952
1493
C02496
0.93
183.0057
2,5-Diamino-6-(5-phospho-D-ribitylamino)pyrimidin-...
-
ME105953
25271619
C18910
7.58
354.0826
2,5-Diamino-6-(5-phospho-D-ribitylamino)pyrimidin-...
-
ME105954
25271619
C18910
7.62
354.0825
2,5-Furandicarboxylate_1
-
ME105955
76720
C20450
1.08
154.9996
2,5-Furandicarboxylate_2
-
ME105956
76720
C20450
1.08
154.9984
2-(6'-Methylthio)hexylmalic acid
-
ME105942
44237240
C17226
8.28
263.0954
2,7-Anhydro-alpha-N-acetylneuraminic acid_1
N-Acetyl-2,7-anhydro-alpha-neuraminic acid
ME105957
440369
C04521
0.99
290.0882
2,7-Anhydro-alpha-N-acetylneuraminic acid_2
N-Acetyl-2,7-anhydro-alpha-neuraminic acid
ME105958
440369
C04521
1.85
290.0883
2-(Acetamidomethylene)succinate
-
ME105943
21158439
C01215
6.84
186.04
2-Amino-9,10-epoxy-8-oxodecanoic acid
2-Amino-9,10-epoxy-8-oxodecanoic acid
ME105959
443587
C12027
7.53
214.1076
2-AminoAMP
2-Amino-AMP
ME105960
439541
C01655
7.6
345.0723
2-Chloro-1,4-naphthoquinone
2-Chloro-1,4-naphthoquinone
ME105961
13891
C03753
7.22
190.9898
2-Dehydro-D-xylonate
(3S,4R)-3,4,5-Trihydroxy-2-keto-valeric acid
ME105962
439852
C02928
8.67
163.0245
2-Deoxy-D-ribose 1-phosphate
Deoxyribose 1-phosphate
ME105963
439287
C00672
0.92
213.0165
2-Ethylhexyl phthalate_1
Monoethylhexyl phthalic acid
ME105964
-
C03343
13.67
277.1441
2-Ethylhexyl phthalate_2
Monoethylhexyl phthalic acid
ME105965
-
C03343
11.5
277.1441
2-Hydroxyfelbamate
2-Hydroxyfelbamate
ME105966
10400039
C16582
6.98
253.0827
2-Oxo-6-methylthiohexanoic acid_1
-
ME105967
22266653
C17216
0.86
175.0444
2-Oxo-6-methylthiohexanoic acid_2
-
ME105968
22266653
C17216
1.58
175.0429
2-Oxo-8-methylthiooctanoic acid
-
ME105969
44237313
C17224
7.06
203.0748
2-Oxosuberate
-
ME105970
146903
C16589
7.46
187.0605
2-Phosphinomethylmalate
-
ME105971
6336010
C17947
9.61
211.001
2-Pyridyl hydroxymethane sulfonic acid_1
2-Pyridyl hydroxymethane sulfonic acid
ME105972
443125
C11327
2.73
188.0014
2-Pyridyl hydroxymethane sulfonic acid_2
2-Pyridyl hydroxymethane sulfonic acid
ME105973
443125
C11327
2.73
188.0014
2-Pyridyl hydroxymethane sulfonic acid_3
2-Pyridyl hydroxymethane sulfonic acid
ME105974
443125
C11327
2.89
188.0014
2-Pyridyl hydroxymethane sulfonic acid_4
2-Pyridyl hydroxymethane sulfonic acid
ME105975
443125
C11327
8.76
188.003
(2S,3S)-2-Hydroxytridecane-1,2,3-tricarboxylate
-
ME105902
5458468
C04655
10.48
331.1766
2-S-Glutathionyl acetate
-
ME105976
11954071
C14862
6.34
364.0804
2-Succinylbenzoate_1
-
ME105977
955
C02730
0.8
221.0466
2-Succinylbenzoate_2
-
ME105978
955
C02730
8.54
221.0451
3-(3,4-Dihydroxyphenyl)lactate_1
-
ME105979
439435
C01207
5.51
197.0449
3-(3,4-Dihydroxyphenyl)lactate_2
-
ME105980
439435
C01207
8.69
197.0448
3-[(3aS,4S,7aS)-7a-Methyl-1,5-dioxo-octahydro-1H-i...
-
ME105993
15944652
C20199
10.75
237.1127
3,4,3'-Tri-O-methylellagic acid
-
ME105983
5281860
C10836
1.47
343.0448
3,4-Dihydroxy-L-phenylalanine
DOPA
ME105984
6047
C00355
7.7
196.0608
3,4-Dihydroxymandelate_1
3,4-Dihydroxymandelic acid
ME105985
85782
C05580
8.73
183.0291
3,4-Dihydroxymandelate_2
3,4-Dihydroxymandelic acid
ME105986
85782
C05580
7.03
183.0289
3,4-Dihydroxyphenylethyleneglycol_1
3,4-Dihydroxyphenylglycol
ME105987
91528
C05576
7.89
169.0496
3,4-Dihydroxyphenylethyleneglycol_2
3,4-Dihydroxyphenylglycol
ME105988
91528
C05576
8.37
169.0496
3-(4-Hydroxyphenyl)lactate
Hydroxyphenyllactic acid
ME105981
9378
C03672
7.09
181.0498
3-(4-Hydroxyphenyl)pyruvate
4-Hydroxyphenylpyruvic acid
ME105982
979
C01179
8.99
179.0341
3',5'-Cyclic AMP
3',5' cyclic AMP
ME105989
6076
C00575
6.31
328.045
3',5'-Cyclic GMP
3',5' cyclic GMP
ME105990
24316
C00942
1.15
344.0414
3,5-Dinitroguaiacol
-
ME105991
14345197
C17101
11.39
213.0147
3,7-Di-O-methylquercetin
3,7-Di-O-methylquercetin
ME105992
5280417
C01265
6.87
329.0675
(3-Arylcarbonyl)-alanine
-
ME105903
412786
C03450
8.67
192.0656
3-beta-D-Galactosyl-sn-glycerol_1
Galactosylglycerol
ME105994
16048618
C05401
1.9
253.0927
3-beta-D-Galactosyl-sn-glycerol_2
Galactosylglycerol
ME105995
16048618
C05401
1.79
253.0927
3-beta-D-Galactosyl-sn-glycerol_3
Galactosylglycerol
ME105996
16048618
C05401
2.53
253.0927
(3E)-4-(2-Carboxyphenyl)-2-oxobut-3-enoate
-
ME105904
16730035
C01275
0.87
219.0306
3-Fluoro-cis,cis-muconate
-
ME105997
9543395
C16474
0.92
159.0104
3-Hydroxy-2-methylpyridine-4,5-dicarboxylate
3-Hydroxy-2-methylpyridine-4,5-dicarboxylate
ME105998
54683777
C04604
10.43
196.0244
3-Hydroxy-L-glutamate_1
3-Hydroxyglutamic acid
ME105999
5460801
C03066
6.09
162.04
3-Hydroxy-L-glutamate_2
3-Hydroxyglutamic acid
ME106000
5460801
C03066
5.63
162.04
3-Methyldioxyindole
3-Methyldioxyindole
ME106001
151066
C05834
7.98
162.0562
3-Oxalomalate
3-Oxalomalic acid
ME106002
5459790
C01990
0.8
204.9989
3-Oxododecanoic acid
3-Oxododecanoic acid
ME106003
439717
C02367
11.24
213.1488
3-Sulfino-L-alanine
3-Sulfino-alanine
ME106004
1549098
C00606
0.95
152.0015
3-Sulfocatechol
3-Sulfocatechol
ME106005
9543247
C06336
7.21
188.9855
3-Sulfomuconate
-
ME106006
9543213
C06675
6.54
220.9753
3-tert-Butyl-5-methylcatechol
3-tert-Butyl-5-methylcatechol
ME106007
66095
C03929
10.14
179.1069
4-(2-Aminophenyl)-2,4-dioxobutanoate_1
4-(2-Aminophenyl)-2,4-dioxobutanoic acid
ME106008
472
C01252
7.26
206.0468
4-(2-Aminophenyl)-2,4-dioxobutanoate_2
4-(2-Aminophenyl)-2,4-dioxobutanoic acid
ME106009
472
C01252
8.88
206.0465
4-(3-Methylbut-2-enyl)-L-tryptophan
-
ME106010
25200966
C04290
10.28
271.1453
4,4'-Biphenyldithiol_1
-
ME106013
81399
C14569
2.01
217.0158
4,4'-Biphenyldithiol_2
-
ME106014
81399
C14569
1.09
217.0154
4,4-Bis[4-(acetyloxy)phenyl]3-hexanone_1
-
ME106015
240071
C15145
10.52
367.1558
4,4-Bis[4-(acetyloxy)phenyl]3-hexanone_2
-
ME106016
240071
C15145
10.52
367.1534
4-(4-Deoxy-beta-D-gluc-4-enuronosyl)-D-galacturona...
-
ME106011
46878395
C04733
1.49
351.0568
4,4'-Diaminostilbene dihydrochloride_1
-
ME106017
11954176
C15452
13.01
281.0623
4,4'-Diaminostilbene dihydrochloride_2
-
ME106018
11954176
C15452
7.26
281.0617
4,4'-Dichlorobenzophenone_1
-
ME106019
7034
C06643
7.58
248.9874
4,4'-Dichlorobenzophenone_2
-
ME106020
7034
C06643
6.91
248.9883
4-Amino-4-deoxychorismate_1
4-Amino-4-deoxychorismic acid
ME106021
6857399
C11355
7.74
224.0557
4-Amino-4-deoxychorismate_2
4-Amino-4-deoxychorismic acid
ME106022
6857399
C11355
7.76
224.0559
4-(beta-D-Glucosyloxy)benzoate
-
ME106012
6857424
C03993
6.64
299.0775
4-Carboxy-4-hydroxy-2-oxoadipate
-
ME106023
130
C04115
3.45
219.0139
4-Hydroxy-2-quinolinecarboxylic acid_1
Kynurenic acid
ME106024
3845
C01717
7.84
188.0344
4-Hydroxy-2-quinolinecarboxylic acid_2
Kynurenic acid
ME106025
3845
C01717
9.55
188.0344
4-Hydroxycinnamyl alcohol 4-D-glucoside
-
ME106026
5280847
C05855
9.8
311.1136
4-Nitrophenol-alpha-D-galactopyranoside
-
ME106027
65115
C04452
7.24
300.0721
4-Nitrophenyl-3-ketovalidamine_1
-
ME106028
440187
C03995
6.77
295.0934
4-Nitrophenyl-3-ketovalidamine_2
-
ME106029
440187
C03995
9.22
295.0928
4-O-beta-D-Glucosyl-4-hydroxycinnamate_1
-
ME106030
17756753
C04415
0.77
325.0928
4-O-beta-D-Glucosyl-4-hydroxycinnamate_2
-
ME106031
17756753
C04415
9.26
325.0925
4-Pyridoxate_1
4-Pyridoxic acid
ME106032
6723
C00847
0.97
182.0449
4-Pyridoxate_2
4-Pyridoxic acid
ME106033
6723
C00847
7.01
182.0449
4-Pyridoxate_3
4-Pyridoxic acid
ME106034
6723
C00847
7.85
182.0449
5-Amino-4-chloro-2-(2,3-dihydroxyphenyl)-3(2H)-pyr...
-
ME106035
5460130
C04798
1.87
252.0182
5-Amino-6-(5'-phospho-D-ribitylamino)uracil
5-Amino-6-(5-Phospho-D-ribitylamino)uracil
ME106036
18666812
C04454
7.43
355.0674
5-Fluorouridine monophosphate
-
ME106037
150856
C16634
7.61
341.0183
5-Guanidino-3-methyl-2-oxopentanoate
-
ME106038
46173323
C20234
1.87
186.0876
5-Hydroxyferulic acid methyl ester_1
-
ME106039
446834
C05619
9.19
209.045
5-Hydroxyferulic acid methyl ester_2
-
ME106040
446834
C05619
8.55
209.045
5-Hydroxyindoleacetate
5-Hydroxyindoleacetic acid
ME106041
1826
C05635
8.55
190.0502
5-Hydroxy-L-tryptophan
5-Hydroxy-tryptophan
ME106042
439280
C00643
3.97
219.077
5-Hydroxymethyldeoxycytidylate
-
ME106043
440189
C03997
7.74
336.059
5-Methyl-3-isoxazolyl sulfate_1
5-Methyl-3-isoxazolyl sulfate
ME106044
443071
C11105
5.99
177.9808
5-Methyl-3-isoxazolyl sulfate_2
5-Methyl-3-isoxazolyl sulfate
ME106045
443071
C11105
5.74
177.9806
5-Methyl-3-isoxazolyl sulfate_3
5-Methyl-3-isoxazolyl sulfate
ME106046
443071
C11105
8.06
177.9821
5-Methylthiopentanaldoxime
5-Methylthiopentanaldoxime
ME106047
25010757
C17245
8.11
146.0636
5-O-Methyl-myo-inositol
1D-5-O-Methyl-myo-inositol
ME106048
439990
C03365
1.07
193.0711
5-Sulfosalicylate_1
5-Sulfosalicylic acid
ME106049
7322
C16199
7.53
216.9807
5-Sulfosalicylate_2
5-Sulfosalicylic acid
ME106050
7322
C16199
8
216.9807
(5Z,13E)-11alpha-Hydroxy-9,15-dioxoprost-13-enoate
15-Keto-PGE2
ME105905
5280719
C04707
10.53
349.202
6-[2,3-Dihydroxy-1-(hydroxymethyl)propyl]-1,2-dihy...
-
ME106052
53297445
C19590
0.93
349.0942
6-Acetyl-D-glucose
6-Acetylglucose
ME106053
439780
C02655
2.26
221.066
6-(alpha-D-Glucosaminyl)-1D-myo-inositol
-
ME106051
445937
C15658
6.45
340.1241
6-Demethylsterigmatocystin
6-Demethylsterigmatocystin
ME106054
5280620
C03683
9.75
309.0412
6-Hydroxyindolelactate
-
ME106055
440750
C05657
8.4
220.0625
6-Methoxymellein_1
-
ME106056
83412
C02381
0.77
207.066
6-Methoxymellein_2
-
ME106057
83412
C02381
8.51
207.0668
7,8-Dihydroxycoumarin
-
ME106058
5280569
C03093
8.01
177.0201
7-Deoxyloganate_1
-
ME106059
51399546
C11636
8.56
359.1347
7-Deoxyloganate_2
-
ME106060
51399546
C11636
8.12
359.1347
7-Deoxyloganate_3
-
ME106061
51399546
C11636
8.78
359.1347
7-Deoxyloganetin
-
ME106062
10262598
C20790
10.02
211.0969
7-Hydroxy-3-(4-methoxyphenyl)-4-propyl-2H-1-benzop...
-
ME106063
5357444
C15051
6.17
309.1123
7-Hydroxy-6-methyl-8-ribityl lumazine_1
7-Hydroxy-6-methyl-8-(1-D-ribityl)lumazine
ME106064
440869
C05995
6.81
327.0941
7-Hydroxy-6-methyl-8-ribityl lumazine_2
7-Hydroxy-6-methyl-8-(1-D-ribityl)lumazine
ME106065
440869
C05995
6.81
327.0939
7-Mercaptoheptanoic acid
-
ME106066
3016713
C16593
1.85
161.0637
7-Mercaptoheptanoylthreonine
-
ME106067
24892802
C16594
8.88
262.1117
7-Methyl-2-hydroxy-6-oxoocta-2,4-dienoate_1
Vanylglycol
ME106068
5280696
C04535
8.58
183.0653
7-Methyl-2-hydroxy-6-oxoocta-2,4-dienoate_2
Vanylglycol
ME106069
5280696
C04535
8.63
183.0653
8-Amino-7-oxononanoate_1
8-Amino-7-oxononanoic acid
ME106070
173
C01092
9.3
186.1127
8-Amino-7-oxononanoate_2
8-Amino-7-oxononanoic acid
ME106071
173
C01092
9.27
186.1128
8-Amino-7-oxononanoate_3
8-Amino-7-oxononanoic acid
ME106072
173
C01092
9.04
186.1127
8-Amino-7-oxononanoate_4
8-Amino-7-oxononanoic acid
ME106073
173
C01092
8.06
186.1126
8-Epiiridodial glucoside
8-Epiiridodial glucoside
ME106074
443337
C11656
10.14
329.1609
8-Epiiridotrial glucoside
8-Epiiridotrial glucoside
ME106075
155942
C11652
10.4
343.1397
8-Hydroxyalanylclavam
-
ME106076
46173889
C17359
0.91
215.0668
8-Oxodeoxycoformycin
8-Oxodeoxycoformycin
ME106077
439866
C02957
4.68
265.093
8-Oxoguanine
8-Hydroxyguanine
ME106078
65154
C20155
6.63
166.038
9,12,13-TriHOME_1
9,12,13-TriHOME
ME106079
9858729
C14833
11.78
329.2331
9,12,13-TriHOME_2
9,12,13-TriHOME
ME106080
9858729
C14833
11.19
329.2331
9-Hydroxybenzo[a]pyrene-4,5-oxide
-
ME106081
115064
C14854
0.97
283.076
(9R,10R)-Dihydroxyoctadecanoic acid
9,10-Dihydroxystearic acid
ME105906
12235228
C08314
13.07
315.2541
9-Riburonosyladenine
-
ME106082
46878410
C11501
8.11
280.0681
Abscisate
Abscisic acid
ME106083
5280896
C06082
10.05
263.1288
Abscisic acid glucose ester_1
-
ME106084
46173811
C15970
9.56
425.1822
Abscisic acid glucose ester_2
-
ME106085
46173811
C15970
9.56
425.1822
Acetophenazine
Acetophenazine
ME106086
17676
C06807
9.61
410.1904
Acetyl-maltose_1
Acetyl-maltose
ME106087
11349616
C02130
2.27
383.1197
Acetyl-maltose_2
Acetyl-maltose
ME106088
11349616
C02130
5.29
383.1188
Acronycidine
Acronycidine
ME106089
95708
C10631
10.63
288.0873
Acutumidine
Acutumidine
ME106090
442840
C10565
6.59
382.1082
Acyclovir
Aciclovir
ME106091
2022
C06810
5.67
224.0781
Adiantifoline
Adiantifoline
ME106092
167937
C09323
8.45
725.344
alpha-N-Acetylneuraminyl-2,6-beta-D-galactosyl-1,4...
-
ME106093
125128
C04886
1.06
673.2316
alpha-Ribazole
alpha-Ribazole
ME106094
160433
C05775
7.34
277.1189
Altersolanol A
Altersolanol A
ME106095
89644
C10296
9.69
335.0786
AMCC
N-Acetyl-S-(n-methylcarbamoyl)cysteine
ME106096
4489451
C11490
0.76
219.0447
Amoxicillin
Amoxicillin
ME106097
33613
C06827
7.09
364.0972
AMPA_1
Ampa
ME106098
1221
C13672
1.65
185.056
AMPA_2
Ampa
ME106099
1221
C13672
0.98
185.056
Anastrozole
Anastrozole
ME106100
2187
C08159
9.85
292.1556
Androsterone glucuronide
Androsterone 3-glucuronide
ME106101
114833
C11135
10.89
465.2498
Anhydrochlortetracycline
-
ME106102
54693278
C18297
10.33
459.0943
Aniracetam
Aniracetam
ME106103
2196
C13355
10.23
218.0816
Anisatin_1
Anisatin
ME106104
115121
C09294
9.14
327.1088
Anisatin_2
Anisatin
ME106105
115121
C09294
9.42
327.1088
Anthocyanin
Anthocyanin
ME106106
145858
C15549
2.1
206.0743
Anthocyanin 3'-O-beta-D-glucoside
Anthocyanin 3'-O-beta-D-glucoside
ME106107
56928084
C15550
0.78
384.1225
Antirrhinoside
Antirrhinoside
ME106108
442418
C09768
8.4
361.1136
Arg-OEt
Ethyl arginate
ME106109
439495
C01404
1.06
201.1347
Artecanin
Chrysartemin B
ME106110
442147
C09302
9.09
277.109
Ascorbate
Vitamin C
ME106111
54670067
C00072
7.91
175.0238
Ascorbate 2-sulfate_1
-
ME106112
54675759
C02812
1.21
254.9813
Ascorbate 2-sulfate_2
-
ME106113
54675759
C02812
1.21
254.9813
Asebogenin
Asebogenin
ME106114
442255
C09471
10.52
287.0931
Asparenomycin A_1
-
ME106115
6441870
C17400
7.45
339.0655
Asparenomycin A_2
-
ME106116
6441870
C17400
0.85
339.0668
Asperuloside
Asperuloside
ME106117
84298
C09769
9.31
413.1091
Aspidinol
Aspidinol
ME106118
122841
C10673
10.12
223.0968
Atractyloside A
-
ME106119
71307451
C17858
8.71
447.2235
Aucubin
Aucubin
ME106120
91458
C09771
8.01
345.1191
Autumnolide
Autumnolide
ME106121
442171
C09346
9.36
279.1238
Azelaic acid
Azelaic acid
ME106122
2266
C08261
9.34
187.0967
Azinphos-ethyl_1
Azinphos-ethyl
ME106123
17531
C18644
6.47
344.0305
Azinphos-ethyl_2
Azinphos-ethyl
ME106124
17531
C18644
1.53
344.0291
Azoxystrobin
Azoxystrobin
ME106125
3034285
C18558
8.07
402.1109
Baicalin
Baicalin
ME106126
64982
C10025
9.26
445.0783
Bakkenolide A
Bakkenolide A
ME106127
442173
C09350
14.33
233.1544
Balofloxacin_1
-
ME106128
65958
C13906
9.89
388.1694
Balofloxacin_2
-
ME106129
65958
C13906
9.32
388.1694
Barbaloin_1
Aloin
ME106130
14989
C10305
9.56
417.1193
Barbaloin_2
Aloin
ME106131
14989
C10305
10.49
417.1186
Bendiocarb_1
Bendiocarb
ME106132
2314
C14433
7.82
222.0768
Bendiocarb_2
Bendiocarb
ME106133
2314
C14433
7.85
222.0767
Benzthiazuron
-
ME106134
16007
C19058
7.86
206.0391
Berberastine
Berberastine
ME106135
442180
C09360
0.96
351.1103
Berberine chloride_1
-
ME106136
12456
C12679
8.12
370.0864
Berberine chloride_2
-
ME106137
12456
C12679
8.12
370.0864
Berberine chloride_3
-
ME106138
12456
C12679
8.57
370.0864
Bergenin_1
Bergenin
ME106139
66065
C09919
8.35
327.0722
Bergenin_2
Bergenin
ME106140
66065
C09919
7.53
327.0722
beta-Citryl-L-glutamate
Beta-Citryl-glutamic acid
ME106141
189741
C20775
3.5
320.0618
Biotin sulfone
Biotin sulfone
ME106142
83863
C20387
6.43
275.0708
Biotin sulfoxide_1
Biotin sulfoxide
ME106143
83833
C20386
7.27
259.0755
Biotin sulfoxide_2
Biotin sulfoxide
ME106144
83833
C20386
7.52
259.0753
Bis(4'-chlorophenyl)methane_1
-
ME106145
7576
C06641
7.25
235.0079
Bis(4'-chlorophenyl)methane_2
-
ME106146
7576
C06641
7.24
235.0078
Bis-D-fructose 2',1:2,1'-dianhydride
Bis-D-fructose 2',1:2,1'-dianhydride
ME106147
11782294
C04333
6.13
323.0984
Boc-Asn_1
-
ME106148
82035
C01410
3.05
231.0982
Boc-Asn_2
-
ME106149
82035
C01410
2.22
231.0982
Boc-Asn-OPhNO2
-
ME106150
439663
C02138
6.94
352.1146
Botrydial
Botrydial
ME106151
185781
C09622
12.3
309.1714
Bowdichione
Bowdichione
ME106152
5281705
C10202
6.94
297.0401
Bruceoside A
Bruceoside A
ME106153
441789
C08753
10.13
681.2373
Butenachlor
-
ME106154
6448437
C19045
8.28
308.1433
Butopyronoxyl_1
-
ME106155
10760
C19142
10.61
225.1125
Butopyronoxyl_2
-
ME106156
10760
C19142
8.49
225.1125
C20913
-
ME106157
92042779
C20913
0.92
233.0777
Calcium levulinate anhydrous
-
ME106158
11578
C18380
10.66
269.035
Carbamorph
-
ME106159
35953
C18923
0.81
219.0628
Castanospermine_1
Castanospermine
ME106160
54445
C02256
7.71
188.0919
Castanospermine_2
Castanospermine
ME106161
54445
C02256
7.02
188.0918
Castanospermine_3
Castanospermine
ME106162
54445
C02256
4.58
188.0919
Cellobionate
-
ME106163
6452827
C20888
7.47
357.1035
Cerulenin
Cerulenin
ME106164
5282054
C12058
10.88
222.113
Chlorbufam
-
ME106165
16073
C19060
9.8
222.033
Chlorogenate
Chlorogenic acid
ME106166
1794427
C00852
8.99
353.0881
Chloroxuron
-
ME106167
16115
C19075
1.63
289.074
Chlorphentermine
Chlorphentermine
ME106168
10007
C07559
0.77
182.0743
Chlorpromazine
Chlorpromazine
ME106169
2726
C06906
7.74
317.0875
Chlorpromazine N-oxide_1
Chlorpromazine N-oxide
ME106170
443037
C10966
3.36
333.0827
Chlorpromazine N-oxide_2
Chlorpromazine N-oxide
ME106171
443037
C10966
7.42
333.0829
Cholesterol sulfate
Cholesterol sulfate
ME106172
65076
C18043
9.91
465.3046
Cholic acid
Cholic acid
ME106173
221493
C00695
10.16
407.2806
cis-2,3-Dihydroxy-2,3-dihydro-p-cumate
-
ME106175
9543088
C06579
9.13
197.081
cis-2-Carboxycyclohexyl-acetic acid_1
cis-2-Carboxycyclohexyl-acetic acid
ME106176
656884
C14112
8.85
185.0811
cis-2-Carboxycyclohexyl-acetic acid_2
cis-2-Carboxycyclohexyl-acetic acid
ME106177
656884
C14112
8.86
185.0811
cis-2-Carboxycyclohexyl-acetic acid_3
cis-2-Carboxycyclohexyl-acetic acid
ME106178
656884
C14112
7.45
185.0811
cis-2-Carboxycyclohexyl-acetic acid_4
cis-2-Carboxycyclohexyl-acetic acid
ME106179
656884
C14112
8.82
185.0811
cis-4-Carboxymethylenebut-2-en-4-olide
cis-4-Carboxymethylenebut-2-en-4-olide
ME106180
9543248
C04431
2.12
139.0036
cis-(Homo)3-aconitate
-
ME106174
25244229
C20582
7.18
215.0555
CITRATE
Citric acid
ME106181
311
C00158
2.04
191.0189
Clavulanic acid
Clavulanate
ME106182
5280980
C06662
6.69
198.04
CNQX
CNQX
ME106183
3721046
C13668
7.78
231.0157
Coformycin
Coformycin
ME106184
25447
C01677
1.92
283.1034
Coniferin_1
Coniferin
ME106185
5280372
C00761
10.36
341.1243
Coniferin_2
Coniferin
ME106186
5280372
C00761
10.35
341.1243
Coniferin_3
Coniferin
ME106187
5280372
C00761
9.41
341.1244
Coniferin_4
Coniferin
ME106188
5280372
C00761
8.61
341.1243
Coniferyl alcohol
Coniferyl alcohol
ME106189
1549095
C00590
11.26
179.0705
Corniculatusin
Corniculatusin
ME106190
5280695
C04527
0.92
331.045
Creatine-D3
Creatine
ME106191
-
-
0.95
133.0798
Creatinine
Creatinine
ME106192
588
C00791
0.97
112.0503
Croconazole
Croconazole
ME106193
2880
C11096
8.16
309.0807
Crotanecine
Crotanecine
ME106194
394146
C10284
8.01
170.0813
Cyclic GMP-AMP
-
ME106195
71563406
C20640
17.09
673.0952
cyclo-Dopa 5-O-glucoside_1
cyclo-Dopa 5-O-glucoside
ME106196
46173990
C17751
7.12
356.0991
cyclo-Dopa 5-O-glucoside_2
cyclo-Dopa 5-O-glucoside
ME106197
46173990
C17751
7.8
356.099
Cyclophosphamide
Cyclophosphamide
ME106198
2907
C06933
8.07
277.0281
Cypermethrin
Cypermethrin
ME106199
2912
C10984
6.14
414.0672
D-Alanyl-D-serine
-
ME106200
1549438
C19719
1.52
175.0715
Dalpanin
Dalpanin
ME106201
442769
C10416
9.24
533.1691
Danielone_1
Danielone
ME106202
146167
C10674
7.59
211.0605
Danielone_2
Danielone
ME106203
146167
C10674
7.82
211.0605
Danielone_3
Danielone
ME106204
146167
C10674
9.12
211.0606
Dantrolene_1
Dantrolene
ME106205
6914273
C06939
7.45
313.0563
Dantrolene_2
Dantrolene
ME106206
6914273
C06939
7.45
313.0563
DCEBIO_1
DCEBIO
ME106207
656765
C13844
1.01
228.993
DCEBIO_2
DCEBIO
ME106208
656765
C13844
7.07
228.9938
Debromoaplysiatoxin
-
ME106209
2967
C05148
11.96
591.3193
Decarbamoylgonyautoxin 1_1
-
ME106210
3035199
C20022
7.98
367.0666
Decarbamoylgonyautoxin 1_2
-
ME106211
3035199
C20022
8.61
367.0674
Dehypoxanthine futalosine
Dehypoxanthine futalosine
ME106212
25137931
C17010
9.18
295.0822
Deoxycoformycin
Pentostatin
ME106213
439693
C02267
1.8
267.109
Deoxyguanidinoproclavaminic acid
Deoxyamidinoproclavaminic acid
ME106214
441123
C06656
1.11
227.1143
Deoxylimononic acid D-ring-lactone
-
ME106215
24892745
C04251
8.81
489.2124
Deoxyloganin_1
Deoxyloganin
ME106216
440906
C06071
9.19
373.1506
Deoxyloganin_2
Deoxyloganin
ME106217
440906
C06071
10.09
373.1502
D-Galactose 6-sulfate
Galactose 6-sulfate
ME106218
439386
C01067
0.78
259.0129
D-Glucono-1,5-lactone
Gluconolactone
ME106219
7027
C00198
4.34
177.0395
D-GLUCURONOLACTONE
Glucuronolactone
ME106220
92283
C02670
0.77
193.0345
Didanosine
Didanosine
ME106221
50599
C06953
6.25
235.0835
Didrovaltratum
Didrovaltratum
ME106222
65689
C09776
9.1
423.2027
Diethyl 2-methyl-3-oxosuccinate_1
4-Heptenal diethyl acetal
ME106224
97750
C04067
7.4
201.0761
Diethyl 2-methyl-3-oxosuccinate_2
4-Heptenal diethyl acetal
ME106225
97750
C04067
7.8
201.0762
Diethyl 2-methyl-3-oxosuccinate_3
4-Heptenal diethyl acetal
ME106226
97750
C04067
7.32
201.0761
Diethyl (2R,3R)-2-methyl-3-hydroxysuccinate
-
ME106223
440395
C04586
7.96