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Return to study ST000311 main page
Analysis: POSITIVE ION MODE/Peak Area
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
10-Desacetyltaxuyunnanin C
-
ME110993
5460449
C15538
9.87
463.2707
11beta,16alpha,17alpha,21-Tetrahydroxy-9alpha-fluo...
-
ME110994
228786
C14664
6.53
437.2353
11H-Benz[bc]aceanthrylene
-
ME110995
164558
C19335
0.84
241.1027
1,2,3-Trihydroxybenzene
1,2,3-Trihydroxybenzene
ME110989
1057
C01108
0.83
127.0394
1,2,6-Hexanetriol
-
ME110990
7823
C20334
5.71
135.1021
1,8-Dinitropyrene_1
-
ME110991
39185
C14423
2.32
293.0540
1,8-Dinitropyrene_2
-
ME110992
39185
C14423
2.22
293.0540
1'-Acetoxyeugenol acetate
1'-Acetoxyeugenol acetate
ME110996
4484222
C10427
7.09
265.1053
1-Aminocyclopropane-1-carboxylate
1-Aminocyclopropanecarboxylic acid
ME110997
535
C01234
1.57
102.0556
1D-1-Guanidino-3-amino-1,3-dideoxy-scyllo-inositol
-
ME110998
25200474
C01298
12.50
221.1249
1-Hydroxy-2-methyl-2-butenyl 4-diphosphate
-
ME110999
5281976
C11811
0.82
263.0088
1-Methyladenosine
1-Methyladenosine
ME111000
27476
C02494
3.63
282.1212
1-O-Hexadecyl-lyso-sn-glycero-3-phosphocholine
-
ME111001
3983
C13903
12.82
482.3593
1-Palmitoylglycerophosphocholine
LPC 16:0/0:0
ME111002
460602
C04102
12.43
497.3455
1-Phenylethylamine
-
ME111003
7408
C02455
5.59
122.0969
1-Pyrroline-2-carboxylate
1-Pyrroline-2-carboxylic acid
ME111004
440046
C03564
1.96
114.0555
(1-Ribosylimidazole)-4-acetate
Imidazoleacetic acid riboside
ME110962
440569
C05131
1.49
259.0922
2,2',3-Trihydroxybiphenyl
-
ME111007
569
C03569
0.81
203.0721
2,2,4-Trimethyl-3-(4-fluorophenyl)-2H-1-benzopyran...
-
ME111008
255266
C15056
8.86
327.1411
2,2-Dimethyl-8-prenylchromene 6-carboxylic acid_1
2,2-Dimethyl-8-prenylchromene 6-carboxylic acid
ME111009
441962
C09003
9.21
273.1494
2,2-Dimethyl-8-prenylchromene 6-carboxylic acid_2
2,2-Dimethyl-8-prenylchromene 6-carboxylic acid
ME111010
441962
C09003
8.75
273.1492
2,3,5-Trihydroxytoluene
2,3,5-Trihydroxytoluene
ME111011
13026
C03338
2.10
141.0545
2,3,6-Trihydroxypyridine
2,3,6-Trihydroxypyridine
ME111012
440020
C03458
1.20
128.0347
2,3-Dimethylmaleate
Dimethyl maleate
ME111013
5459894
C00922
0.83
145.0497
2,3-Diphenyl-3-(2-pyridinyl)acrylonitrile
-
ME111014
3003768
C15084
3.60
283.1224
2-(3'-Methylthio)propylmalic acid
2-(3-Methylthiopropyl)malic acid
ME111005
24883455
C17214
1.67
223.0633
2,4,5-Trichloro-2,5-cyclohexadiene-1-ol
-
ME111015
62
C06598
1.32
198.9461
2,4,6-Trichloro-4'-biphenylol
-
ME111016
105036
C14189
0.96
272.9639
2,4-Bis(acetamido)-2,4,6-trideoxy-beta-L-altropyra...
-
ME111017
56927717
C19972
5.25
247.1286
2,4-Bis(acetamido)-2,4,6-trideoxy-beta-L-altropyra...
-
ME111018
56927717
C19972
2.08
247.1287
2,4-Bis(acetamido)-2,4,6-trideoxy-beta-L-altropyra...
-
ME111019
56927717
C19972
5.67
247.1285
2,4-DP
Dichlorprop
ME111020
8427
C11020
1.33
234.9907
2,5-Dichloro-4-oxohex-2-enedioate
2,5-Dichloro-4-oxohex-2-enedioate
ME111021
11966252
C12835
0.75
226.9514
2,5-Dioxopentanoate
-
ME111022
21872870
C00433
1.67
131.0343
2-(6'-Methylthio)hexylmalic acid
-
ME111006
44237240
C17226
1.46
265.1115
2-Aceto-2-hydroxybutanoate_1
2-Acetolactate
ME111023
21
C00659
6.26
147.0672
2-Aceto-2-hydroxybutanoate_2
2-Acetolactate
ME111024
21
C00659
0.90
147.0656
2-Amino-9,10-epoxy-8-oxodecanoic acid
2-Amino-9,10-epoxy-8-oxodecanoic acid
ME111025
443587
C12027
5.55
216.1229
2-Amino-9H-pyrido[2,3-b]indole
-
ME111026
62805
C19186
3.37
184.0864
2-Aminoadenosine
2-Aminoadenosine
ME111027
72200
C00939
7.16
283.1158
2-Aminomuconate
2-Aminomuconic acid
ME111028
20849110
C02220
6.99
158.0460
2-Chloro-cis,cis-muconate
-
ME111029
9543209
C03572
1.35
176.9961
2-Ethylhexyl phthalate_1
Monoethylhexyl phthalic acid
ME111030
-
C03343
12.11
279.1597
2-Ethylhexyl phthalate_2
Monoethylhexyl phthalic acid
ME111031
-
C03343
8.93
279.1578
2-Ethylhexyl phthalate_3
Monoethylhexyl phthalic acid
ME111032
-
C03343
13.22
279.1597
2-Ethylhexyl phthalate_4
Monoethylhexyl phthalic acid
ME111033
-
C03343
9.66
279.1601
2-Furoate
2-Furoic acid
ME111034
6919
C01546
0.92
113.0238
2-Hydroxycyclohexan-1-one_1
2-Hydroxycyclohexan-1-one
ME111035
10785
C01147
5.70
115.0757
2-Hydroxycyclohexan-1-one_2
2-Hydroxycyclohexan-1-one
ME111036
10785
C01147
6.66
115.0759
2-Hydroxyethylphosphonate
2-Hydroxyethylphosphonic acid
ME111037
89954
C06451
1.26
127.0158
2-Hydroxymethylclavam
-
ME111038
3050259
C17357
0.83
144.0656
2-Methylaminoadenosine_1
-
ME111039
439946
C03218
9.24
297.1318
2-Methylaminoadenosine_2
-
ME111040
439946
C03218
8.70
297.1322
2-Naphthylamine_1
2-Aminonaphthalene
ME111041
7057
C02227
6.26
144.0816
2-Naphthylamine_2
2-Aminonaphthalene
ME111042
7057
C02227
6.72
144.0812
2-Oxoglutaramate
2-Keto-glutaramic acid
ME111043
48
C00940
1.20
146.0449
2-Oxosuberate
-
ME111044
146903
C16589
6.26
189.0742
2-Thiophenesulfonamide
-
ME111045
72881
C14764
0.25
163.9838
3-(2-Hydroxyphenyl)propanoate
3-(2-Hydroxyphenyl)propanoic acid
ME111046
6930705
C01198
11.95
167.0706
3,3'-Dimethylbisphenol A
-
ME111047
6620
C14339
11.09
257.1539
3,4-Dihydroxyphenylethyleneglycol_1
3,4-Dihydroxyphenylglycol
ME111048
91528
C05576
5.51
171.0647
3,4-Dihydroxyphenylethyleneglycol_2
3,4-Dihydroxyphenylglycol
ME111049
91528
C05576
0.81
171.0633
3,4-Dihydroxyphenylethyleneglycol_3
3,4-Dihydroxyphenylglycol
ME111050
91528
C05576
3.03
171.0634
3,4-Methylenedioxymethamphetamine_1
3,4-Methylenedioxymethamphetamine
ME111051
1615
C07577
7.14
194.1159
3,4-Methylenedioxymethamphetamine_2
3,4-Methylenedioxymethamphetamine
ME111052
1615
C07577
5.39
194.1176
3alpha,7alpha-Dihydroxy-12-oxo-5beta-cholanate_1
-
ME111053
439472
C01292
10.02
407.2800
3alpha,7alpha-Dihydroxy-12-oxo-5beta-cholanate_2
-
ME111054
439472
C01292
8.75
407.2800
3alpha,7alpha-Dihydroxy-12-oxo-5beta-cholanate_3
-
ME111055
439472
C01292
9.49
407.2798
(3-Arylcarbonyl)-alanine_1
-
ME110963
412786
C03450
6.99
194.0812
(3-Arylcarbonyl)-alanine_2
-
ME110964
412786
C03450
10.06
194.0814
3-Chloro-4-(dichloromethyl)-5-hydroxy-2(5H)-furano...
-
ME111056
53665
C19205
0.78
216.9224
3-Chloro-D-alanine_1
3-Chloro-D-alanine
ME111057
439771
C02634
0.69
124.0148
3-Chloro-D-alanine_2
3-Chloro-D-alanine
ME111058
439771
C02634
5.01
124.0153
3-Chloro-D-alanine_3
3-Chloro-D-alanine
ME111059
439771
C02634
1.37
124.0153
3-Dehydroecdysone_1
3-Dehydroecdysone
ME111060
5460083
C02513
10.09
463.3040
3-Dehydroecdysone_2
3-Dehydroecdysone
ME111061
5460083
C02513
10.91
463.3042
3-Dehydroshikimate
3-Dehydroshikimate
ME111062
439774
C02637
1.96
173.0437
3-Ethoxyandrosta-3,5-dien-17beta-ol propanoate_1
-
ME111063
251872
C15057
9.84
373.2743
3-Ethoxyandrosta-3,5-dien-17beta-ol propanoate_2
-
ME111064
251872
C15057
9.37
373.2743
3-Hydroxyanthranilate_1
3-Hydroxyanthranilic acid
ME111065
86
C00632
1.51
154.0479
3-Hydroxyanthranilate_2
3-Hydroxyanthranilic acid
ME111066
86
C00632
5.13
154.0502
3-Hydroxy-L-glutamate
3-Hydroxyglutamic acid
ME111067
439897
C03066
3.12
164.0541
3-Ketosphingosine
3-Ketosphingosine
ME111068
9839212
C06121
11.28
298.2737
3-Methyl-2-oxobutanoic acid
Ketoisovaleric acid
ME111069
49
C00141
0.88
117.0552
3-Methyleneoxindole_1
3-Methyleneoxindole
ME111070
150946
C02796
6.29
146.0601
3-Methyleneoxindole_2
3-Methyleneoxindole
ME111071
150946
C02796
7.44
146.0599
3-Methyleneoxindole_3
3-Methyleneoxindole
ME111072
150946
C02796
8.36
146.0600
3-Methylguanine_1
3-Methylguanine
ME111073
76292
C02230
5.40
166.0718
3-Methylguanine_2
3-Methylguanine
ME111074
76292
C02230
2.69
166.0729
3-O-alpha-Mycarosylerythronolide B
3-O-alpha-Mycarosylerythronolide B
ME111075
441108
C06630
11.89
547.3461
3-Sulfocatechol
3-Sulfocatechol
ME111076
9543247
C06336
1.87
191.0000
3-Sulfomuconate
-
ME111077
9543213
C06675
2.31
222.9905
3-Sulfopyruvate
3-Sulfopyruvic acid
ME111078
440717
C05528
1.94
168.9789
3-tert-Butyl-5-methylcatechol_1
3-tert-Butyl-5-methylcatechol
ME111079
66095
C03929
10.06
181.1224
3-tert-Butyl-5-methylcatechol_2
3-tert-Butyl-5-methylcatechol
ME111080
66095
C03929
14.37
181.1224
4-Acetamidobutanoate_1
4-Acetamidobutanoic acid
ME111082
6991994
C02946
4.55
146.0813
4-Acetamidobutanoate_2
4-Acetamidobutanoic acid
ME111083
6991994
C02946
1.20
146.0814
4-Amino-2-hydroxylamino-6-nitrotoluene_1
-
ME111084
9543061
C16403
12.27
184.0733
4-Amino-2-hydroxylamino-6-nitrotoluene_2
-
ME111085
9543061
C16403
11.78
184.0734
4-Amino-5-hydroxymethyl-2-methylpyrimidine
4-Amino-5-hydroxymethyl-2-methylpyrimidine
ME111086
777
C01279
1.43
140.0825
4-Aminobiphenyl
4-Aminobiphenyl
ME111087
7102
C10998
12.26
170.0967
4-Aminobutanoate
gamma-Aminobutyric acid
ME111088
119
C00334
0.88
104.0712
4-Cumylphenol
4-Cumylphenol
ME111089
11742
C14258
12.70
213.1275
4-Dodecylphenol_1
4-Dodecylphenol
ME111090
66030
C14245
14.61
263.2367
4-Dodecylphenol_2
4-Dodecylphenol
ME111091
66030
C14245
13.79
263.2364
4-Fluorocyclohexadiene-cis,cis-1,2-diol_1
-
ME111092
11829464
C16483
5.40
131.0496
4-Fluorocyclohexadiene-cis,cis-1,2-diol_2
-
ME111093
11829464
C16483
8.04
131.0496
4-Guanidinobutanal_1
4-Guanidinobutanal
ME111094
559
C02647
1.73
130.0977
4-Guanidinobutanal_2
4-Guanidinobutanal
ME111095
559
C02647
4.95
130.0978
4-Guanidinobutanoate_1
4-Guanidinobutanoic acid
ME111096
500
C01035
6.71
146.0935
4-Guanidinobutanoate_2
4-Guanidinobutanoic acid
ME111097
500
C01035
1.72
146.0925
4-Hydroxy-3-nitrosobenzamide
4-Hydroxy-3-nitrosobenzamide
ME111098
443631
C12114
2.29
167.0467
4-Hydroxy-4-methylglutamate
(2S,4S)-4-Amino-2-hydroxy-2-methylpentanedioic acid
ME111099
23377630
C06034
1.00
178.0711
4-Hydroxybutanoic acid_1
4-Hydroxybutyric acid
ME111100
10413
C00989
2.29
105.0552
4-Hydroxybutanoic acid_2
4-Hydroxybutyric acid
ME111101
10413
C00989
1.90
105.0551
4-Hydroxyphenylacetate
4-Hydroxyphenyl acetate
ME111102
127
C00642
7.65
153.0551
4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol
4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol
ME111081
104856
C19574
6.26
210.1256
4-Nitrophenol
4-Nitrophenol
ME111103
980
C00870
3.09
140.0347
4-Oxocyclohexanecarboxylate
-
ME111104
192730
C03767
1.49
143.0688
4-Oxoproline_1
4-Oxo-proline
ME111105
107541
C01877
1.96
130.0501
4-Oxoproline_2
4-Oxo-proline
ME111106
107541
C01877
0.81
130.0500
4-Phenethylphenol_1
-
ME111107
80630
C14340
6.54
199.1102
4-Phenethylphenol_2
-
ME111108
80630
C14340
11.66
199.1117
4-Prenylresveratrol
4-Prenylresveratrol
ME111109
5281725
C10285
12.41
297.1485
4-Pyridoxate
4-Pyridoxic acid
ME111110
6723
C00847
5.15
184.0602
4-Vinylcyclohexene
-
ME111111
7499
C19310
7.22
109.1019
(4Z,7Z,10Z,13Z,16Z,19Z)-Docosahexaenoic acid_1
DHA
ME110965
445580
C06429
14.19
329.2475
(4Z,7Z,10Z,13Z,16Z,19Z)-Docosahexaenoic acid_2
DHA
ME110966
445580
C06429
12.79
329.2475
(4Z,7Z,10Z,13Z,16Z,19Z)-Docosahexaenoic acid ethyl...
-
ME110967
9831416
C16185
11.11
357.2805
(4Z,7Z,10Z,13Z,16Z,19Z)-Docosahexaenoic acid ethyl...
-
ME110968
9831416
C16185
9.18
357.2801
(4Z,7Z,10Z,13Z,16Z,19Z)-Docosahexaenoic acid ethyl...
-
ME110969
9831416
C16185
14.91
357.2802
(4Z,7Z,10Z,13Z,16Z,19Z)-Docosahexaenoic acid ethyl...
-
ME110970
9831416
C16185
10.21
357.2780
5-(2-Hydroxyethyl)-4-methylthiazole
5-(2-Hydroxyethyl)-4-methylthiazole
ME111112
1136
C04294
1.47
144.0484
5,6-Dihydrothymine_1
Dihydrothymine
ME111113
93556
C00906
0.99
129.0659
5,6-Dihydrothymine_2
Dihydrothymine
ME111114
93556
C00906
2.50
129.0662
5,6-Dihydrouracil
Dihydrouracil
ME111115
649
C00429
1.34
115.0507
5-Acetamidopentanoate_1
5-Acetamidovaleric acid
ME111116
439903
C03087
2.32
160.0970
5-Acetamidopentanoate_2
5-Acetamidovaleric acid
ME111117
439903
C03087
5.92
160.0971
5-Acetamidopentanoate_3
5-Acetamidovaleric acid
ME111118
439903
C03087
1.30
160.0971
5alpha-Androstan-17beta-ol propionate
-
ME111119
238386
C15373
15.31
333.2789
5-Aminolevulinate_1
5-Amino-levulinic acid
ME111120
137
C00430
0.84
132.0659
5-Aminolevulinate_2
5-Amino-levulinic acid
ME111121
137
C00430
2.10
132.0657
5-exo-Hydroxy-1,2-campholide
5-exo-Hydroxy-1,2-campholide
ME111122
440138
C03843
7.53
185.1155
5-Guanidino-2-oxopentanoate
2-Oxoarginine
ME111123
558
C03771
1.22
174.0876
5-Hydroxyindoleacetate_1
5-Hydroxyindoleacetic acid
ME111124
1826
C05635
6.93
192.0658
5-Hydroxyindoleacetate_2
5-Hydroxyindoleacetic acid
ME111125
1826
C05635
7.09
192.0658
5-Hydroxy-L-tryptophan_1
5-Hydroxy-tryptophan
ME111126
439280
C00643
3.87
221.0920
5-Hydroxy-L-tryptophan_2
5-Hydroxy-tryptophan
ME111127
439280
C00643
2.40
221.0921
5-Hydroxy-L-tryptophan_3
5-Hydroxy-tryptophan
ME111128
439280
C00643
5.57
221.0918
5-Hydroxypentanoate
5-Hydroxyvaleric acid
ME111129
25945
C02804
0.96
119.0706
5-L-Glutamyl-taurine
5-L-Glutamyl-taurine
ME111130
68759
C05844
8.75
255.0655
5-Methylthiopentanaldoxime
5-Methylthiopentanaldoxime
ME111131
25010757
C17245
0.81
148.0808
5-Nitro-ortho-anisidine
2-Methoxy-5-nitroaniline
ME111132
7447
C19469
0.81
169.0588
5-N-Methyloxaluric acid
-
ME111133
443075
C11117
1.18
147.0409
5-O-Methyl-myo-inositol
1D-5-O-Methyl-myo-inositol
ME111134
439990
C03365
6.98
195.0851
5-Sulfosalicylate_1
5-Sulfosalicylic acid
ME111135
7322
C16199
3.93
218.9947
5-Sulfosalicylate_2
5-Sulfosalicylic acid
ME111136
7322
C16199
2.28
218.9955
5-Sulfosalicylate_3
5-Sulfosalicylic acid
ME111137
7322
C16199
4.31
218.9950
5-Ureido-4-imidazole carboxylate_1
-
ME111138
155
C05515
6.67
171.0497
5-Ureido-4-imidazole carboxylate_2
-
ME111139
155
C05515
0.97
171.0515
6,8-Dimethyl-6,7,8,9-tetradehydroergoline
-
ME111140
57339211
C20457
13.80
238.1460
6,8-Dimethyl-6,7-didehydroergoline_1
-
ME111141
57339187
C20409
16.17
240.1621
6,8-Dimethyl-6,7-didehydroergoline_2
-
ME111142
57339187
C20409
15.79
240.1621
(6Z,9Z,12Z)-Octadecatrienoic acid_1
gamma-Linolenic acid
ME110971
5280933
C06426
12.07
279.2321
(6Z,9Z,12Z)-Octadecatrienoic acid_2
gamma-Linolenic acid
ME110972
5280933
C06426
13.95
279.2319
7,8-Diaminononanoate
7,8-Diaminononanoic acid
ME111143
652
C01037
0.82
189.1603
7-Chloroemodin
7-Chloroemodin
ME111144
442729
C10311
6.26
305.0220
8-Deoxylactucin
Deoxylactucin
ME111145
442196
C09392
9.70
261.1102
(8Z,11Z,14Z)-Icosatrienoic acid
Dihomo-gamma-linolenic acid
ME110973
5280581
C03242
14.94
307.2625
9,12,13-TriHOME_1
9,12,13-TriHOME
ME111146
9858729
C14833
10.34
331.2484
9,12,13-TriHOME_2
9,12,13-TriHOME
ME111147
9858729
C14833
9.77
331.2483
(9Z)-Hexadecenoic acid_1
Palmitoleic acid
ME110974
445638
C08362
11.73
255.2323
(9Z)-Hexadecenoic acid_2
Palmitoleic acid
ME110975
445638
C08362
14.38
255.2324
(9Z)-Hexadecenoic acid_3
Palmitoleic acid
ME110976
445638
C08362
12.77
255.2323
(9Z)-Hexadecenoic acid_4
Palmitoleic acid
ME110977
445638
C08362
12.35
255.2322
(9Z)-Octadecenoic acid
Oleic acid
ME110978
445639
C00712
15.75
283.2637
Abacavir
Abacavir
ME111148
441300
C07624
6.42
287.1607
Abietate_1
Abietic acid
ME111149
10569
C06087
12.52
303.2326
Abietate_2
Abietic acid
ME111150
10569
C06087
13.85
303.2309
Acutumidine
Acutumidine
ME111151
442840
C10565
0.86
384.1209
Agroclavine_1
Agroclavine
ME111152
73484
C09023
14.62
239.1538
Agroclavine_2
Agroclavine
ME111153
73484
C09023
14.99
239.1534
Alantolactone_1
Alantolactone
ME111154
72724
C09289
14.18
233.1545
Alantolactone_2
Alantolactone
ME111155
72724
C09289
12.51
233.1535
Albafuran A
-
ME111156
5281297
C08732
8.57
379.1919
Allantoate
Allantoic acid
ME111157
203
C00499
0.74
177.0612
Allantoin
Allantoin
ME111158
204
C01551
0.91
159.0512
Allidochlor
-
ME111159
7157
C19043
11.71
174.0678
alpha-Ergocryptine
-
ME111160
134551
C07545
11.87
576.3194
alpha-Erythroidine
alpha-Erythroidine
ME111161
441076
C06531
11.34
274.1454
alpha-Ethyl-alpha,beta-diphenyl-2-pyridineethanol
-
ME111162
231445
C15028
13.66
304.1714
alpha-Ionone_1
alpha-Ionone
ME111163
5282108
C12286
13.32
193.1588
alpha-Ionone_2
alpha-Ionone
ME111164
5282108
C12286
15.30
193.1586
alpha-Ionone_3
alpha-Ionone
ME111165
5282108
C12286
14.63
193.1588
alpha-Methylstyrene_1
-
ME111166
7407
C14395
9.22
119.0859
alpha-Methylstyrene_2
-
ME111167
7407
C14395
11.36
119.0859
alpha-Oxo-benzeneacetic acid
Phenylglyoxylic acid
ME111168
11915
C02137
6.67
151.0392
alpha-Ribazole
alpha-Ribazole
ME111169
160433
C05775
5.89
279.1335
alpha-Santonin
alpha-Santonin
ME111170
221071
C02206
13.81
247.1318
alpha-Sinensal_1
Sinensal
ME111171
5281534
C09729
12.84
219.1744
alpha-Sinensal_2
Sinensal
ME111172
5281534
C09729
15.92
219.1744
Aminoimidazole ribotide
AIR
ME111173
161500
C03373
0.86
296.0654
Ammeline
Ammeline
ME111174
12583
C08733
5.49
128.0547
Angelicin
Angelicin
ME111175
10658
C09060
3.67
187.0400
(-)-Annonaine
-
ME110958
160597
C09339
1.46
266.1156
Anthocyanin
Anthocyanin
ME111176
145858
C15549
0.68
208.0875
Anthopleurine
-
ME111177
14844435
C16994
5.60
178.1063
Anthranilate
2-Aminobenzoic acid
ME111178
227
C00108
7.39
138.0551
Apigenin
Apigenin
ME111179
5280443
C01477
9.71
271.0608
Arachidonate_1
Arachidonic acid
ME111180
444899
C00219
14.41
305.2468
Arachidonate_2
Arachidonic acid
ME111181
444899
C00219
12.70
305.2467
Arginine
Arginine
ME111182
6322
C00062
0.81
175.1191
Arnebinol
-
ME111183
5281558
C09917
14.19
245.1536
Aromatic aldehyde_1
Benzaldehyde
ME111184
240
C00193
5.40
107.0497
Aromatic aldehyde_2
Benzaldehyde
ME111185
240
C00193
3.37
107.0494
Aspartame_1
Aspartame
ME111186
134601
C11045
6.40
295.1298
Aspartame_2
Aspartame
ME111187
134601
C11045
11.02
295.1271
Bakkenolide A_1
Bakkenolide A
ME111188
442173
C09350
14.38
235.1696
Bakkenolide A_2
Bakkenolide A
ME111189
442173
C09350
13.39
235.1693
Bakkenolide A_3
Bakkenolide A
ME111190
442173
C09350
12.73
235.1698
Beclomethasone
Beclomethasone
ME111191
20469
C06842
11.21
409.1768
Bentazone-sodium
-
ME111192
13124860
C18594
6.86
263.0460
Benz[a]acridine_1
-
ME111193
9180
C19337
1.22
230.0956
Benz[a]acridine_2
-
ME111194
9180
C19337
14.36
230.0971
Benz[a]acridine_3
-
ME111195
9180
C19337
9.34
230.0960
Benzimidazole
1H-Benzimidazole
ME111196
5798
C02009
0.88
119.0589
Benzoate
Benzoic acid
ME111197
243
C00180
3.37
123.0444
Benzofuran
Benzofuran
ME111198
9223
C14512
5.68
119.0494
Benzotrichloride
-
ME111199
7367
C19166
2.30
194.9510
Benzoyl phosphate
Benzoyl phosphate
ME111200
151426
C06206
2.29
203.0119
Benzyl 2-methyl-3-oxobutanoate
Benzyl 2-methyl-3-oxobutanoate
ME111201
440192
C04000
6.27
207.1022
Benzyl nicotinate
Benzyl nicotinate
ME111202
7191
C12865
7.45
214.0855
beta-Carboline
beta-Carboline
ME111203
64961
C20157
7.03
169.0764
Betamethasone
Betamethasone
ME111204
9782
C06848
6.37
393.2088
Biochanin A
Biochanin A
ME111205
5280373
C00814
8.83
285.0769
Biotin
Biotin
ME111206
171548
C00120
1.74
245.0965
Biotin sulfoxide
Biotin sulfoxide
ME111207
83833
C20386
0.81
261.0885
Bis(chloromethyl) ether
-
ME111208
10967
C19158
0.14
114.9725
Bixin
Bixin
ME111209
6376436
C08582
15.64
395.2208
(+)-Bornane-2,5-dione_1
Bornane-2,5-dione
ME110959
20218
C03037
6.83
167.1067
(+)-Bornane-2,5-dione_2
Bornane-2,5-dione
ME110960
20218
C03037
12.48
167.1070
(+)-Bornane-2,5-dione_3
Bornane-2,5-dione
ME110961
20218
C03037
14.40
167.1067
Botrydial_1
Botrydial
ME111210
185781
C09622
10.79
311.1847
Botrydial_2
Botrydial
ME111211
185781
C09622
10.99
311.1844
Buclizine
Buclizine
ME111212
6729
C07777
11.37
433.2410
Bufadienolide_1
-
ME111213
-
C16921
9.88
355.2621
Bufadienolide_2
-
ME111214
-
C16921
9.48
355.2651
Buprenorphine_1
Buprenorphine
ME111215
644073
C08007
11.31
468.3105
Buprenorphine_2
Buprenorphine
ME111216
644073
C08007
13.34
468.3108
Buprenorphine_3
Buprenorphine
ME111217
644073
C08007
12.69
468.3094
Butabarbital_1
Butabarbital
ME111218
2479
C07827
5.13
213.1235
Butabarbital_2
Butabarbital
ME111219
2479
C07827
7.29
213.1216
Butabarbital_3
Butabarbital
ME111220
2479
C07827
12.52
213.1232
Calcidiol
25-Hydroxyvitamin D3
ME111221
5283731
C01561
16.38
401.3432
Calcium glycerophosphate
-
ME111222
-
C12935
0.86
210.9680
Calcium salicylate
-
ME111223
517068
C19600
1.35
315.0181
Calystegin B2
Calystegin B2
ME111224
443000
C10851
2.85
176.0923
Capillanol
-
ME111225
5315669
C17783
10.18
175.1118
CCCP
CCCP
ME111226
2603
C11164
1.35
205.0289
Cilastatin
Cilastatin
ME111227
6435415
C01675
14.78
359.1644
Cinnamaldehyde_1
Cinnamaldehyde
ME111228
637511
C00903
9.81
133.0650
Cinnamaldehyde_2
Cinnamaldehyde
ME111229
637511
C00903
7.23
133.0649
Cinnamaldehyde_3
Cinnamaldehyde
ME111230
637511
C00903
2.67
133.0658
cis-2,3-Dihydro-2,3-dihydroxybiphenyl_1
(1S,2R)-3-Phenylcyclohexa-3,5-diene-1,2-diol
ME111231
5459789
C06589
10.19
189.0914
cis-2,3-Dihydro-2,3-dihydroxybiphenyl_2
(1S,2R)-3-Phenylcyclohexa-3,5-diene-1,2-diol
ME111232
5459789
C06589
10.29
189.0916
Clopyralid
Clopyralid
ME111233
15553
C18779
0.93
191.9624
Corticosterone_1
Corticosterone
ME111234
5753
C02140
9.39
347.2232
Corticosterone_2
Corticosterone
ME111235
5753
C02140
9.93
347.2234
Coumarin_1
Coumarin
ME111236
18327169
C05851
6.82
147.0444
Coumarin_2
Coumarin
ME111237
18327169
C05851
7.54
147.0444
Creatine
Creatine
ME111238
586
C00300
1.01
132.0770
Creatine-D3
Creatine
ME111239
-
-
1.01
135.0956
Crotanecine_1
Crotanecine
ME111240
394146
C10284
1.93
172.0970
Crotanecine_2
Crotanecine
ME111241
394146
C10284
4.55
172.0968
Cryptopleurine
-
ME111242
92765
C10586
15.97
378.2082
Cucurbic acid_1
Cucurbic acid
ME111243
5281159
C08482
13.54
213.1468
Cucurbic acid_2
Cucurbic acid
ME111244
5281159
C08482
9.09
213.1474
Cyclohexane-1,3-dione_1
Cyclohexane-1,3-dione
ME111245
10434
C01066
2.42
113.0601
Cyclohexane-1,3-dione_2
Cyclohexane-1,3-dione
ME111246
10434
C01066
10.52
113.0602
Cyclohexane-1,3-dione_3
Cyclohexane-1,3-dione
ME111247
10434
C01066
3.43
113.0602
Cyclohexylsulfamate
Cyclamic acid
ME111248
7533
C02824
6.54
180.0703
Cytidine
Cytidine
ME111249
6175
C00475
1.74
244.0927
Cytosine_1
Cytosine
ME111250
597
C00380
5.07
112.0510
Cytosine_2
Cytosine
ME111251
597
C00380
1.74
112.0509
Cytosine_3
Cytosine
ME111252
597
C00380
2.29
112.0510
Deazaflavin
-
ME111253
5376058
C01800
1.17
214.0596
Debromoaplysiatoxin
-
ME111254
2967
C05148
8.50
593.3317
Deethylatrazine
6-Chloro-N-(1-methylethyl)-1,3,5-triazine-2,4-diamine
ME111255
22563
C06559
6.26
188.0708
Dehydrospermidine
-
ME111256
23657850
C15853
1.17
144.1478
Deisopropyldeethylatrazine
-
ME111257
18831
C06560
1.33
146.0231
Dethiobiotin_1
Dethiobiotin
ME111258
445027
C01909
5.37
215.1396
Dethiobiotin_2
Dethiobiotin
ME111259
445027
C01909
7.04
215.1389
D-Galactose 6-sulfate
Galactose 6-sulfate
ME111260
439386
C01067
2.35
261.0283
D-Glucarate
Glucaric acid
ME111261
33037
C00818
1.02
211.0440
D-Glucose
Glucose
ME111262
5793
C00031
6.66
181.0691
Diacetylaminoazotoluene
-
ME111263
6751
C17380
12.62
310.1534
Dienestrol
-
ME111264
667476
C08090
12.16
267.1380
Diethylene glycol_1
Diethylene glycol
ME111266
8117
C14689
1.69
107.0710
Diethylene glycol_2
Diethylene glycol
ME111267
8117
C14689
7.53
107.0708
Diethylpropion
Diethylpropion
ME111268
7029
C06954
5.16
206.1522
Diethyl sulfate
-
ME111265
6163
C14706
7.18
155.0365
Difenpiramide_1
-
ME111269
100472
C17720
11.95
289.1347
Difenpiramide_2
-
ME111270
100472
C17720
8.94
289.1347
Dihydro-4,4-dimethyl-2,3-furandione_1
2-Dehydropantolactone
ME111271
39
C01125
3.89
129.0552
Dihydro-4,4-dimethyl-2,3-furandione_2
2-Dehydropantolactone
ME111272
39
C01125
0.94
129.0549
Dihydro-4,4-dimethyl-2,3-furandione_3
2-Dehydropantolactone
ME111273
39
C01125
1.69
129.0527
Dimepiperate_1
-
ME111274
91679
C14571
6.32
264.1421
Dimepiperate_2
-
ME111275
91679
C14571
6.57
264.1425
Dimethisterone
Dimethisterone
ME111276
6607
C07628
9.36
341.2477
Dinitrochlorobenzene_1
-
ME111277
6
C14397
2.36
202.9865
Dinitrochlorobenzene_2
-
ME111278
6
C14397
1.85
202.9853
Diosgenin_1
Diosgenin
ME111279
99474
C08898
11.49
415.3226
Diosgenin_2
Diosgenin
ME111280
99474
C08898
10.13
415.3225
D-Lysopine_1
-
ME111281
193187
C04020
1.34
219.1344
D-Lysopine_2
-
ME111282
193187
C04020
5.56
219.1344
Dobutamine
-
ME111283
36811
C06967
13.65
302.1764
D-Octopine
D-Octopine
ME111284
108172
C04137
2.14
247.1394
Dodecanamide
Dodecanamide
ME111285
14256
C13831
11.21
200.2011
Dodemorph
-
ME111286
61899
C18786
14.55
282.2787
Dopamine
Dopamine
ME111287
681
C03758
4.70
154.0866
D-Ribitol 5-phosphate
D-Ribitol 5-phosphate
ME111288
151104
C01068
1.18
233.0423
D-Ribose
Ribose
ME111289
5779
C00121
1.57
151.0618
(E)-4-(Trimethylammonio)but-2-enoate
(E)-4-(Trimethylammonio)but-2-enoate
ME110979
5462194
C04114
1.17
144.1023
Epothilone C
-
ME111290
9891226
C15694
9.64
478.2614
epsilon-Caprolactam
Epsilon-caprolactam
ME111291
7768
C06593
5.96
114.0917
Ethanolamine phosphate
Phosphoethanolamine
ME111292
1015
C00346
1.03
142.0251
Ethephon
-
ME111293
27982
C18399
0.25
144.9824
Etidronic acid
Etidronic acid
ME111294
3305
C07736
1.87
206.9798
Etodolac
Etodolac
ME111295
3308
C06991
12.41
288.1604
Fagomine_1
Fagomine
ME111296
72259
C10144
1.33
148.0969
Fagomine_2
Fagomine
ME111297
72259
C10144
1.99
148.0968
Felbamate
Felbamate
ME111298
3331
C07501
5.39
239.1029
Fenoprofen
Fenoprofen
ME111299
3342
C06997
8.02
243.1011
Ferimzone
Ferimzone
ME111300
9013425
C18579
10.05
255.1590
Ferricyanide_1
-
ME111301
439210
C00324
2.29
212.9614
Ferricyanide_2
-
ME111302
439210
C00324
1.53
212.9590
Fexaramine
-
ME111303
5326713
C15649
9.24
497.2775
Fexofenadine
Fexofenadine
ME111304
3348
C06999
11.74
502.2950
Fludrocortisone acetate
Fludrocortisone acetate
ME111305
225609
C08186
8.11
423.2168
Furfural diethyl acetal_1
-
ME111306
83553
C14280
6.32
171.0996
Furfural diethyl acetal_2
-
ME111307
83553
C14280
12.26
171.0997
Furfural diethyl acetal_3
-
ME111308
83553
C14280
7.88
171.1017
Fusicoccin H
-
ME111309
5281364
C09093
11.16
483.2967
gamma-Coniceine
gamma-Coniceine
ME111310
442632
C10138
5.43
126.1282
gamma-Glutamyl-gamma-aminobutyraldehyde
gamma-Glutamyl-gamma-aminobutyraldehyde
ME111311
23724544
C15700
2.91
217.1184
gamma-L-Glutamyl-D-alanine
gamma-L-Glutamyl-D-alanine
ME111312
25200557
C03738
1.38
219.0971
gamma-L-Glutamyl-L-cysteinyl-beta-alanine
Homoglutathione
ME111313
7098648
C04544
3.03
322.1065
Glutamine
Glutamine
ME111314
5961
C00064
0.81
147.0765
Glutarate_1
Glutaric acid
ME111315
743
C00489
0.90
133.0498
Glutarate_2
Glutaric acid
ME111316
743
C00489
2.88
133.0497
Glycocholate_1
Glycocholic acid
ME111317
10140
C01921
9.22
466.3173
Glycocholate_2
Glycocholic acid
ME111318
10140
C01921
8.77
466.3167
Glycyl-leucine_1
Gly-Leu
ME111319
92843
C02155
1.36
189.1233
Glycyl-leucine_2
Gly-Leu
ME111320
92843
C02155
5.69
189.1233
Glycyl-leucine_3
Gly-Leu
ME111321
92843
C02155
5.33
189.1235
Glycyl-leucine_4
Gly-Leu
ME111322
92843
C02155
1.48
189.1234
GV 150013X
-
ME111323
5311147
C15096
9.87
535.2710
Gymnodimine
Gymnodimine
ME111324
11649137
C20025
12.09
508.3403
Heteropyrithiamine
1-[(4-Amino-2-methylpyrimidin-5-yl)methyl]pyridinium
ME111325
439786
C02691
7.71
202.1228
Hexadecasphinganine
C16 Sphinganine
ME111326
656816
C13915
10.60
274.2741
Hexylamine
Hexylamine
ME111327
8102
C08306
5.22
102.1283
Himbacine
-
ME111328
6436265
C10598
14.39
346.2742
Hippurate
Hippuric acid
ME111329
464
C01586
6.67
180.0656
Histamine
Histamine
ME111330
774
C00388
0.77
112.0875
Hoechst 33342
-
ME111331
1464
C11189
7.53
453.2414
Homostachydrine
(S)-Homostachydrine
ME111332
441447
C08283
1.91
158.1178
Imazaquin
-
ME111333
54739
C05076
11.88
312.1344
Indole_1
Indole
ME111334
798
C00463
5.40
118.0656
Indole_2
Indole
ME111335
798
C00463
6.27
118.0659
Indole_3
Indole
ME111336
798
C00463
14.39
118.0655
Indole-3-acetaldehyde_1
Indoleacetaldehyde
ME111338
800
C00637
5.60
160.0760
Indole-3-acetaldehyde_2
Indoleacetaldehyde
ME111339
800
C00637
6.27
160.0761
Indole-3-acetate_1
Indoleacetic acid
ME111340
802
C00954
8.47
176.0709
Indole-3-acetate_2
Indoleacetic acid
ME111341
802
C00954
5.58
176.0709
Indole_4
Indole
ME111337
798
C00463
6.67
118.0656
Indoleamine
-
ME111342
230280
C01819
1.01
133.0741
Indolelactate
Indolelactic acid
ME111343
92904
C02043
7.88
206.0813
Indospicine
Indospicine
ME111344
108010
C08288
5.20
174.1238
Inulicin
-
ME111345
442263
C09483
10.88
309.1690
Ipazine
-
ME111346
15950
C19103
9.48
244.1311
Isoquinoline_1
Isoquinoline
ME111347
8405
C06323
7.87
130.0657
Isoquinoline_2
Isoquinoline
ME111348
8405
C06323
9.16
130.0656
Isoquinoline_3
Isoquinoline
ME111349
8405
C06323
6.27
130.0649
Isoquinoline_4
Isoquinoline
ME111350
8405
C06323
5.76
130.0655
Isovalerylcarnitine
CAR 4:0;3Me
ME111351
6426851
C20826
6.75
246.1698
Karwinaphthol B
Karwinaphthol B
ME111352
442522
C09942
12.61
289.1419
Ketoprofen
Ketoprofen
ME111353
3825
C01716
11.02
255.1031
L-2,4-Diaminobutanoate
2,4-Diaminobutyric acid
ME111354
134490
C03283
0.91
119.0834
L-2-Aminoadipate_1
alpha-Aminoadipic acid
ME111355
92136
C00956
1.03
162.0761
L-2-Aminoadipate_2
alpha-Aminoadipic acid
ME111356
92136
C00956
1.91
162.0760
L-Adrenaline_1
Epinephrine
ME111357
5816
C00788
5.93
184.0973
L-Adrenaline_2
Epinephrine
ME111358
5816
C00788
6.72
184.0971
L-Arginine
Arginine
ME111359
6322
C00062
6.95
175.1170
L-Asparagine_1
Asparagine
ME111360
6267
C00152
1.34
133.0611
L-Asparagine_2
Asparagine
ME111361
6267
C00152
0.81
133.0610
L-Aspartate 4-semialdehyde
Aspartate-semialdehyde
ME111362
439235
C00441
1.27
118.0512
Latia luciferin
Latia luciferin
ME111363
5280505
C02293
12.52
237.1848
L-Carnitine
Carnitine
ME111364
288
C00318
1.07
162.1126
L-Citrulline_1
Citrulline
ME111365
9750
C00327
1.30
176.1030
L-Citrulline_2
Citrulline
ME111366
9750
C00327
0.89
176.1030
L-Cysteate_1
Cysteic acid
ME111367
7140381
C00506
1.64
170.0125
L-Cysteate_2
Cysteic acid
ME111368
7140381
C00506
1.38
170.0125
Lemobiline
Lemobiline
ME111369
442917
C10705
10.90
244.1328
Leukotriene A4_1
LTA4
ME111370
5280383
C00909
10.05
319.2261
Leukotriene A4_2
LTA4
ME111371
5280383
C00909
11.75
319.2252
Levetiracetam
Levetiracetam
ME111372
5284583
C07841
5.83
171.1133
L-Glutamate_1
Glutamic acid
ME111373
33032
C00025
6.95
148.0621
L-Glutamate_2
Glutamic acid
ME111374
33032
C00025
0.87
148.0605
L-Glutamate_3
Glutamic acid
ME111375
33032
C00025
1.20
148.0606
L-Histidine
Histidine
ME111376
6274
C00135
0.81
156.0770
L-Homocysteic acid
Homocysteic acid
ME111377
177491
C16511
2.30
184.0285
Lichenin_1
Lichenin
ME111378
439241
C00478
0.85
163.0600
Lichenin_2
Lichenin
ME111379
439241
C00478
3.12
163.0613
L-Iduronate 2-sulfate_1
L-Iduronate 2-sulfate
ME111380
439915
C03126
2.38
275.0066
L-Iduronate 2-sulfate_2
L-Iduronate 2-sulfate
ME111381
439915
C03126
1.36
275.0084
Linoleate_1
Linoleic acid
ME111382
5280450
C01595
14.71
281.2489
Linoleate_2
Linoleic acid
ME111383
5280450
C01595
14.61
281.2473
Linoleate_3
Linoleic acid
ME111384
5280450
C01595
12.29
281.2479
Linoleate_4
Linoleic acid
ME111385
5280450
C01595
11.59
281.2475
L-Kynurenine
Kynurenine
ME111386
161166
C00328
5.48
209.0921
L-Leucine_1
Leucine
ME111387
6106
C00123
2.72
132.1022
L-Leucine_2
Leucine
ME111388
6106
C00123
2.41
132.1022
L-Lysine
Lysine
ME111389
5962
C00047
0.70
147.1129
L-Methionine
Methionine
ME111390
6137
C00073
1.57
150.0585
L-Methionine S-oxide_1
Methionine sulfoxide
ME111391
158980
C02989
8.45
166.0524
L-Methionine S-oxide_2
Methionine sulfoxide
ME111392
158980
C02989
0.89
166.0533
L-Methionine S-oxide_3
Methionine sulfoxide
ME111393
158980
C02989
1.57
166.0536
L-Octanoylcarnitine_1
CAR 8:0
ME111394
11953814
C02838
9.01
288.2168
L-Octanoylcarnitine_2
CAR 8:0
ME111395
11953814
C02838
7.61
288.2187
L-Olivosyl-oleandolide_1
L-Olivosyl-oleandolide
ME111396
443565
C11991
8.97
517.3006
L-Olivosyl-oleandolide_2
L-Olivosyl-oleandolide
ME111397
443565
C11991
9.86
517.3002
L-Olivosyl-oleandolide_3
L-Olivosyl-oleandolide
ME111398
443565
C11991
10.27
517.3010
L-Ornithine
Ornithine
ME111399
6262
C00077
0.70
133.0974
Lovastatin
Lovastatin
ME111400
53232
C07074
9.25
405.2647
L-Palmitoylcarnitine
CAR 16:0
ME111401
11953816
C02990
13.86
400.3417
L-Phenylalanine
Phenylalanine
ME111402
6140
C00079
5.40
166.0866
L-Pipecolate_1
Pipecolic acid
ME111403
439227
C00408
1.30
130.0866
L-Pipecolate_2
Pipecolic acid
ME111404
439227
C00408
3.05
130.0866
L-Rhamnose
Rhamnose
ME111405
25310
C00507
0.95
165.0758
L-Serine_1
Serine
ME111406
5951
C00065
0.81
106.0503
L-Serine_2
Serine
ME111407
5951
C00065
1.18
106.0504
L-Threonine_1
Threonine
ME111408
6288
C00188
1.05
120.0660
L-Threonine_2
Threonine
ME111409
6288
C00188
0.82
120.0660
L-Tryptophan
Tryptophan
ME111410
6305
C00078
6.26
205.0980
L-Valine_1
Valine
ME111411
6287
C00183
1.26
118.0868
L-Valine_2
Valine
ME111412
6287
C00183
0.90
118.0867
Lycodine
Lycodine
ME111413
5462443
C09876
0.94
243.1838
Lythramine_1
Lythramine
ME111414
442864
C10604
8.96
480.2763
Lythramine_2
Lythramine
ME111415
442864
C10604
9.89
480.2766
Maculosin
Cyclo(Pro-Tyr)
ME111416
119404
C10605
6.33
261.1237
Magnoshinin
Magnoshinin
ME111417
135783
C10658
11.38
415.2128
Mandelonitrile
2-Hydroxy-2-phenylacetonitrile
ME111418
10758
C00561
7.42
134.0603
Mannitol
Mannitol
ME111419
6251
C00392
3.37
183.0849
Mansonone C
-
ME111420
21742
C10371
11.79
229.1220
Mebenil
-
ME111421
23466
C18913
1.32
212.1052
Melamine
Melamine
ME111422
7955
C08737
3.27
127.0732
Mercury(2+)
-
ME111423
26623
C00703
0.83
202.9778
Metalaxyl
Metalaxyl
ME111424
42586
C10947
7.19
280.1536
Methohexital
Methohexital
ME111425
9034
C07844
6.70
263.1389
Methomyl
Methomyl
ME111426
5353758
C11196
6.27
163.0522
Methyl 2-diazoacetamidohexonate
Methyl 2-diazoacetamidohexonate
ME111427
439447
C01223
6.40
215.1257
Methyl acetyl ricinoleate
-
ME111428
5282107
C12280
13.78
355.2838
Methyleugenol_1
Methyleugenol
ME111430
7127
C10454
11.20
179.1072
Methyleugenol_2
Methyleugenol
ME111431
7127
C10454
9.91
179.1067
Methylimidazoleacetic acid_1
Methylimidazoleacetic acid
ME111432
75810
C05828
1.62
141.0660
Methylimidazoleacetic acid_2
Methylimidazoleacetic acid
ME111433
75810
C05828
1.48
141.0661
Methyl methanesulfonate
Methyl methanesulfonate
ME111429
4156
C19181
0.68
111.0106
Metipranolol_1
Metipranolol
ME111434
31477
C07915
9.06
310.2006
Metipranolol_2
Metipranolol
ME111435
31477
C07915
8.69
310.2008
Myriocin
Myriocin
ME111436
6438394
C19914
9.42
402.2862
N1-Methyl-2-pyridone-5-carboxamide_1
N1-Methyl-2-pyridone-5-carboxamide
ME111442
69698
C05842
5.13
153.0659
N1-Methyl-2-pyridone-5-carboxamide_2
N1-Methyl-2-pyridone-5-carboxamide
ME111443
69698
C05842
2.53
153.0639
N-(3,4-Dichlorophenyl)-malonamate
-
ME111437
176947
C04205
1.97
247.9858
N5-Phenyl-L-glutamine_1
-
ME111444
18603770
C20843
5.26
223.1061
N5-Phenyl-L-glutamine_2
-
ME111445
18603770
C20843
6.14
223.1080
N6-Acetyl-N6-hydroxy-L-lysine
N(6)-Acetyl-N(6)-hydroxy-lysine
ME111448
128888
C03955
6.27
205.1175
N6-(delta2-Isopentenyl)-adenine_1
N6-Isopentenyladenine
ME111446
92180
C04083
4.77
204.1234
N6-(delta2-Isopentenyl)-adenine_2
N6-Isopentenyladenine
ME111447
92180
C04083
4.11
204.1235
N6-Hydroxy-L-lysine
N(6)-Hydroxy-lysine
ME111449
439370
C01028
1.07
163.1097
N(6)-[(Indol-3-yl)acetyl]-L-lysine
N(6)-[(Indol-3-yl)acetyl]-lysine
ME111438
161240
C04211
7.10
304.1668
N6-Methyl-L-lysine
N(6)-Methyllysine
ME111450
164795
C02728
0.81
161.1285
N-Acetyl-D-fucosamine
N-Acetyl-D-fucosamine
ME111451
11954186
C15480
6.26
206.1006
N-Acetyl-D-tryptophan
N-Acetyl-D-tryptophan
ME111452
439917
C03137
7.83
247.1083
N-Acetyl-L-glutamate 5-semialdehyde
N-Acetyl-glutamate 5-semialdehyde
ME111453
192878
C01250
1.24
174.0759
N-Acetyl-L-histidine
N-Acetylhistidine
ME111454
75619
C02997
1.21
198.0878
N-Acetyl-L-leucine_1
N-Acetylleucine
ME111455
75619
C02710
6.91
174.1130
N-Acetyl-L-leucine_2
N-Acetylleucine
ME111456
75619
C02710
7.16
174.1130
N-Acetyl-L-leucine_3
N-Acetylleucine
ME111457
75619
C02710
5.16
174.1128
N-Acetyl-L-leucine_4
N-Acetylleucine
ME111458
75619
C02710
2.89
174.1129
N-Acetyl-L-leucine_5
N-Acetylleucine
ME111459
75619
C02710
3.47
174.1127
N-Acetyl-L-leucine_6
N-Acetylleucine
ME111460
75619
C02710
1.92
174.1128
N-Acetyl-L-phenylalanine_1
N-Acetylphenylalanine
ME111461
74839
C03519
7.62
208.0971
N-Acetyl-L-phenylalanine_2
N-Acetylphenylalanine
ME111462
74839
C03519
7.46
208.0974
N-Acetylmethionine
N-Acetylmethionine
ME111463
448580
C02712
6.07
192.0689
N-Acetylornithine_1
N-Acetylornithine
ME111464
439232
C00437
1.09
175.1077
N-Acetylornithine_2
N-Acetylornithine
ME111465
439232
C00437
2.87
175.1077
N-Amidino-L-glutamate_1
alpha-Guanidinoglutaric acid
ME111466
135313
C03140
1.97
190.0820
N-Amidino-L-glutamate_2
alpha-Guanidinoglutaric acid
ME111467
135313
C03140
6.26
190.0834
N-Carbamoylputrescine
N-Carbamoylputrescine
ME111468
502
C00436
2.71
132.1126
N-Cyclohexylformamide
N-Cyclohexylformamide
ME111469
13017
C11519
5.38
128.1075
N-Cyclopropylammeline
-
ME111470
6321196
C14148
7.43
168.0866
N-Dimethyl-2-aminoethylphosphonate_1
2-Dimethylaminoethylphosphonic acid
ME111471
97588
C05680
1.76
154.0615
N-Dimethyl-2-aminoethylphosphonate_2
2-Dimethylaminoethylphosphonic acid
ME111472
97588
C05680
5.55
154.0614
N-Ethylglycocyamine
N-Ethylglycocyamine
ME111473
439826
C02852
6.26
208.1161
N-Formyl-4-amino-5-aminomethyl-2-methylpyrimidine
-
ME111474
597195
C19872
1.79
167.0932
N-Hydroxy-L-valine
N-Hydroxy-valine
ME111475
22859864
C20313
1.01
134.0812
Nicotianamine
(R,S,S)-Nicotianamine
ME111476
9882882
C05324
11.85
304.1496
Nicotinamide
Niacinamide
ME111477
936
C00153
1.78
123.0557
Nicotinate
Nicotinic acid
ME111478
938
C00253
1.54
124.0401
Nitrilacarb
-
ME111479
9570637
C18954
0.87
198.1235
N-Methylhistamine
1-Methylhistamine
ME111480
-
C05127
0.81
126.1028
N-Methylpelletierine
Methylisopelletierine
ME111481
86786
C06184
5.31
156.1385
N-Monomethyl-2-aminoethylphosphonate
-
ME111482
281241
C05679
2.08
140.0472
N,N'-Diethylthiourea
-
ME111440
2735009
C19400
1.01
133.0800
N,N'-Diphenyl-p-phenylenediamine
-
ME111441
6319
C14501
13.02
261.1382
Nona-2,6-dienal_1
-
ME111483
643731
C08499
9.37
139.1118
Nona-2,6-dienal_2
-
ME111484
643731
C08499
8.86
139.1118
Nona-2,6-dienal_3
-
ME111485
643731
C08499
14.61
139.1119
Nordazepam
Nordazepam
ME111486
2997
C07486
4.37
271.0652
N(pi)-Methyl-L-histidine
3-Methylhistidine
ME111439
64969
C01152
0.81
170.0925
Oblongolide_1
Oblongolide
ME111487
176630
C09519
14.41
221.1536
Oblongolide_2
Oblongolide
ME111488
176630
C09519
13.08
221.1533
Oblongolide_3
Oblongolide
ME111489
176630
C09519
10.07
221.1535
O-Butanoylcarnitine
CAR 4:0
ME111490
213144
C02862
6.11
232.1550
Octanoic acid
Caprylic acid
ME111491
379
C06423
7.22
145.1226
Octylamine
Octylamine
ME111492
8143
C01740
6.50
130.1591
O-Decanoyl-L-carnitine
CAR 10:0
ME111493
11953821
C03299
10.20
316.2491
O-Methylptelefolonium
O-Methylptelefolonium
ME111494
148759
C10732
12.41
317.1605
O-Propanoylcarnitine
CAR 3:0
ME111495
188824
C03017
5.50
218.1393
Otonecine_1
Otonecine
ME111496
5281740
C10356
1.73
186.1124
Otonecine_2
Otonecine
ME111497
5281740
C10356
3.65
186.1127
Otonecine_3
Otonecine
ME111498
5281740
C10356
7.07
186.1126
Paederoside
Paederoside
ME111499
442432
C09795
7.82
447.0941
Pantetheine
Pantetheine
ME111500
479
C00831
11.73
279.1360
Pantothenate
Pantothenic acid
ME111501
988
C00864
6.71
220.1162
p-Benzoquinone_1
Quinone
ME111502
4650
C00472
1.23
109.0291
p-Benzoquinone_2
Quinone
ME111503
4650
C00472
1.97
109.0291
Peganine_1
-
ME111504
72610
C10733
11.21
189.1036
Peganine_2
-
ME111505
72610
C10733
5.59
189.1025
Pentachloroethane
-
ME111506
6419
C19496
0.81
200.8597
Phenacetin
Phenacetin
ME111507
4754
C07591
5.10
180.1023
Phendimetrazine_1
Phendimetrazine
ME111508
30487
C07904
9.78
192.1385
Phendimetrazine_2
Phendimetrazine
ME111509
30487
C07904
6.01
192.1382
Phenmetrazine
Phenmetrazine
ME111510
4762
C07432
5.71
178.1229
Phensuximide_1
Phensuximide
ME111511
6839
C07437
9.16
190.0867
Phensuximide_2
Phensuximide
ME111512
6839
C07437
9.98
190.0871
Phensuximide_3
Phensuximide
ME111513
6839
C07437
5.40
190.0865
Phenylethyl alcohol_1
2-Phenylethanol
ME111514
6054
C05853
9.20
123.0810
Phenylethyl alcohol_2
2-Phenylethanol
ME111515
6054
C05853
5.27
123.0810
Phosphodimethylethanolamine
N,N-Dimethylethanolamine phosphate
ME111516
151438
C13482
11.59
170.0564
Phthalate
Phthalic acid
ME111517
1017
C01606
1.97
167.0339
Phytuberin_1
Phytuberin
ME111518
442387
C09709
11.35
295.1906
Phytuberin_2
Phytuberin
ME111519
442387
C09709
10.92
295.1900
Pimelate
Pimelic acid
ME111520
385
C02656
5.60
161.0797
Pirbuterol
Pirbuterol
ME111521
4845
C07807
5.24
241.1554
Portulacaxanthin III
Portulacaxanthin III
ME111522
5281214
C08566
1.57
269.0760
Precocene II
Precocene II
ME111523
12565
C09018
12.71
221.1168
Pregnenolone acetate_1
-
ME111524
2723722
C14658
8.93
359.2590
Pregnenolone acetate_2
-
ME111525
2723722
C14658
9.36
359.2585
Prinomide
Prinomide
ME111526
60352
C10958
11.36
268.1095
Proclavaminic acid
Proclavaminic acid
ME111527
194953
C06658
1.62
203.1024
Proline
Proline
ME111528
145742
C00148
0.96
116.0711
Promegestone_1
Promegestone
ME111529
36709
C14208
12.44
327.2308
Promegestone_2
Promegestone
ME111530
36709
C14208
13.84
327.2326
Propofol
Propofol
ME111531
4943
C07523
12.98
179.1431
Prostaglandin B1
PGB1
ME111532
5280388
C00959
10.91
337.2355
Prostaglandin H2_1
PGH2
ME111533
445049
C00427
9.20
353.2307
Prostaglandin H2_2
PGH2
ME111534
445049
C00427
8.55
353.2327
Pseudopelletierine
psi-Pelletierine
ME111535
11096
C10865
6.38
154.1230
Pulcherriminic acid
Pulcherriminic acid
ME111536
3083664
C20515
0.89
257.1478
Pyrene-4,5-dione
-
ME111537
160814
C18251
2.29
233.0592
Pyridoxal_1
Pyridoxal
ME111538
1050
C00250
8.93
168.0656
Pyridoxal_2
Pyridoxal
ME111539
1050
C00250
0.86
168.0655
Pyridoxal_3
Pyridoxal
ME111540
1050
C00250
3.61
168.0636
Pyridoxal_4
Pyridoxal
ME111541
1050
C00250
2.02
168.0655
Pyridoxamine_1
Pyridoxamine
ME111542
1052
C00534
5.40
169.0952
Pyridoxamine_2
Pyridoxamine
ME111543
1052
C00534
5.19
169.0973
Pyrimethanil
-
ME111544
91650
C11180
12.13
200.1192
Quinoxaline-2-carboxylic acid
-
ME111545
96695
C18624
5.10
175.0482
(R)-2,3-Dihydroxypropane-1-sulfonate
(2R)-3-sulfopropanediol
ME110980
49852441
C19675
1.42
157.0173
(R)-3-((R)-3-Hydroxybutanoyloxy)butanoate_1
-
ME110981
5459971
C04546
9.16
191.0901
(R)-3-((R)-3-Hydroxybutanoyloxy)butanoate_2
-
ME110982
5459971
C04546
6.26
191.0899
Rehmaionoside C
-
ME111546
11740990
C17452
7.46
389.2164
Retinal
Retinal
ME111547
638015
C00376
13.42
285.2208
Retinoate_1
Retinoic acid
ME111548
444795
C00777
12.05
301.2159
Retinoate_2
Retinoic acid
ME111549
444795
C00777
10.03
301.2178
Retinoate_3
Retinoic acid
ME111550
444795
C00777
10.17
301.2173
Retinoate_4
Retinoic acid
ME111551
444795
C00777
10.99
301.2175
Retinoate_5
Retinoic acid
ME111552
444795
C00777
11.65
301.2177
Rhodanine
Rhodanine
ME111553
1201546
C07280
5.18
133.9746
Riboflavin
Riboflavin
ME111554
493570
C00255
6.62
377.1451
(S)-2,3,4,5-Tetrahydropyridine-2-carboxylate_1
(S)-1-Piperideine-6-carboxylic acid
ME110983
24771808
C00450
1.00
128.0710
(S)-2,3,4,5-Tetrahydropyridine-2-carboxylate_2
(S)-1-Piperideine-6-carboxylic acid
ME110984
24771808
C00450
2.23
128.0711
(S)-2-Hydroxypropylphosphonate
-
ME110985
25244355
C06452
1.34
141.0310
Saccharin sodium anhydrous
-
ME111555
656582
C12284
1.34
205.9874
S-Allyl-L-cysteine
S-Allylcysteine
ME111556
9793905
C16759
3.12
162.0584
Sannamycin A_1
-
ME111557
156086
C17710
9.47
390.2709
Sannamycin A_2
-
ME111558
156086
C17710
10.01
390.2713
(S)-ATPA_1
(S)-ATPA
ME110986
447407
C13733
5.88
229.1182
(S)-ATPA_2
(S)-ATPA
ME110987
447407
C13733
1.66
229.1183
Schizandrin C
-
ME111559
443027
C10893
14.19
385.1664
Sebacic acid
Sebacic acid
ME111560
5192
C08277
0.84
203.1273
Serotonin
Serotonin
ME111561
5202
C00780
5.60
177.1026
(S)-Malate
Malic acid
ME110988
222656
C00149
2.34
135.0305
S-Methyl-L-methionine
-
ME111562
145692
C03172
12.14
165.0799
Sodium chlorate
-
ME111563
516902
C18765
0.76
106.9511
Spermidine
Spermidine
ME111564
1102
C00315
0.67
146.1655
Spermine
Spermine
ME111565
1103
C00750
0.70
203.2233
Sphinganine
Sphinganine
ME111566
91486
C00836
12.38
302.3043
Sphingosine_1
Sphingosine
ME111567
5280335
C00319
12.06
300.2899
Sphingosine 1-phosphate
Sphingosine 1-phosphate
ME111569
5283560
C06124
11.14
380.2562
Sphingosine_2
Sphingosine
ME111568
5280335
C00319
13.73
300.2899
SR95531
-
ME111570
107896
C13796
11.95
288.1347
Streptobiosamine
Streptobiosamine
ME111571
20056682
C07655
8.07
338.1447
Succinate_1
Succinic acid
ME111572
1110
C00042
0.90
119.0343
Succinate_2
Succinic acid
ME111573
1110
C00042
2.38
119.0345
Succinic anhydride_1
Succinic anhydride
ME111574
7922
C19524
0.90
101.0238
Succinic anhydride_2
Succinic anhydride
ME111575
7922
C19524
2.38
101.0239
Sulcatone
Sulcatone
ME111576
9862
C07287
7.22
127.1122
Taurine_1
Taurine
ME111577
1123
C00245
0.82
126.0222
Taurine_2
Taurine
ME111578
1123
C00245
8.99
126.0218
Taurocholate_1
Taurocholic acid
ME111579
6675
C05122
8.94
516.2975
Taurocholate_2
Taurocholic acid
ME111580
6675
C05122
9.86
516.2975
Taurodeoxycholate_1
Taurodeoxycholic acid
ME111581
2733768
C05463
11.51
500.3050
Taurodeoxycholate_2
Taurodeoxycholic acid
ME111582
2733768
C05463
12.77
500.3058
Taxa-4(20),11(12)-dien-5alpha-yl acetate_1
-
ME111583
443486
C11896
14.53
331.2629
Taxa-4(20),11(12)-dien-5alpha-yl acetate_2
-
ME111584
443486
C11896
14.76
331.2628
Taxa-4(20),11(12)-dien-5alpha-yl acetate_3
-
ME111585
443486
C11896
13.05
331.2627
Terbufos
Terbufos
ME111586
25670
C18693
6.28
289.0508
Terbutaline_1
Terbutaline
ME111587
5403
C07129
9.23
226.1444
Terbutaline_2
Terbutaline
ME111588
5403
C07129
8.20
226.1447
Terpendole K
-
ME111589
10098083
C20552
11.76
518.2905
Tetrahydropteridine
Tetrahydropteridine
ME111590
156
C05650
0.96
137.0809
Tetralin_1
Tetralin
ME111591
8404
C14114
2.72
133.0997
Tetralin_2
Tetralin
ME111592
8404
C14114
2.42
133.0998
Thiomorpholine 3-carboxylate
Thiomorpholine-3-carboxylic acid
ME111593
440159
C03901
1.48
148.0431
THTA
2-Tetrahydrothiopheneacetic acid
ME111594
443065
C11072
4.96
147.0478
THTC
Tetrahydrothiophene-2-carboxylic acid
ME111595
443066
C11074
2.30
133.0335
Thymidine
Thymidine
ME111596
5789
C00214
5.46
243.0981
Thymine_1
Thymine
ME111597
1135
C00178
3.40
127.0505
Thymine_2
Thymine
ME111598
1135
C00178
5.46
127.0505
Timolol
Timolol
ME111599
33624
C07141
8.11
317.1633
Tolmetin
Tolmetin
ME111600
5509
C07149
0.87
258.1107
Tolmetin sodium
-
ME111601
23665411
C02328
0.90
280.0931
Tolylacetonitrile
-
ME111602
-
C02596
6.26
132.0815
Toxyl angelate_1
Toxyl angelate
ME111603
11953921
C08981
12.29
301.1432
Toxyl angelate_2
Toxyl angelate
ME111604
11953921
C08981
8.94
301.1430
trans-3,4-Dihydro-3,4-dihydroxy-7,12-dimethylbenz[...
-
ME111605
-
C19490
11.73
291.1364
trans-Cinnamate_1
trans-Cinnamic acid
ME111606
444539
C00423
8.45
149.0599
trans-Cinnamate_2
trans-Cinnamic acid
ME111607
444539
C00423
12.10
149.0598
Tremetone
Tremetone
ME111608
78673
C08992
11.24
203.1066
Tris(butoxyethyl)phosphate
-
ME111609
6540
C14446
12.25
399.2489
Trp-P-1_1
-
ME111610
5284474
C19306
12.52
212.1199
Trp-P-1_2
-
ME111611
5284474
C19306
7.29
212.1183
Tussilagine
Tussilagine
ME111612
185071
C10411
8.38
200.1278
Tyramine_1
Tyramine
ME111613
5610
C00483
5.59
138.0917
Tyramine_2
Tyramine
ME111614
5610
C00483
5.91
138.0918
Tyrosine
Tyrosine
ME111615
6057
C00082
3.37
182.0813
Ubenimex
-
ME111616
72172
C00732
14.51
309.1828
Uracil_1
Uracil
ME111617
1174
C00106
4.39
113.0350
Uracil_2
Uracil
ME111618
1174
C00106
1.53
113.0350
Uracil_3
Uracil
ME111619
1174
C00106
2.88
113.0351
Urate
Uric acid
ME111620
1175
C00366
1.93
169.0358
Uridine_1
Uridine
ME111621
6029
C00299
2.89
245.0767
Uridine_2
Uridine
ME111622
6029
C00299
1.59
245.0770
Urocanate_1
Urocanic acid
ME111623
1549103
C00785
1.75
139.0504
Urocanate_2
Urocanic acid
ME111624
1549103
C00785
2.95
139.0505
Urocanate_3
Urocanic acid
ME111625
1549103
C00785
7.43
139.0519
Urocanate_4
Urocanic acid
ME111626
1549103
C00785
2.07
139.0503
Virol B
-
ME111627
10753985
C19994
11.45
263.2002
Vulgaxanthin-I_1
Vulgaxanthin-I
ME111628
5281217
C08568
10.61
340.1154
Vulgaxanthin-I_2
Vulgaxanthin-I
ME111629
5281217
C08568
10.22
340.1148
Wyerone
Wyerone
ME111630
643733
C08465
8.60
259.0969
Xanomeline
Xanomeline
ME111631
60809
C11767
13.65
282.1629
Xylobiose
Xylobiose
ME111632
-
C01630
11.02
283.1009
Zearalenone
Zearalenone
ME111633
5281576
C09981
8.87
319.1551
Zeatin
trans-Zeatin
ME111634
449093
C00371
5.50
220.1179
Zingerone
Zingerone
ME111635
31211
C17497
11.95
195.1021
Zinnimidine_1
Zinnimidine
ME111636
442878
C10626
13.04
262.1431
Zinnimidine_2
Zinnimidine
ME111637
442878
C10626
10.74
262.1436
Analysis: NEGATIVE ION MODE/Peak Area
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
10-Desacetyltaxuyunnanin C
-
ME111671
5460449
C15538
9.87
463.2709
10E,12E-tetradecadiene-4,6-diynoic acid
-
ME111672
5312705
-
11.25
217.1220
10-fluoro-capric acid_1
-
ME111673
9542
-
11.09
191.1434
10-fluoro-capric acid_2
-
ME111674
9542
-
15.48
191.1439
10-fluoro-capric acid_3
-
ME111675
9542
-
15.16
191.1425
10-fluoro-capric acid_4
-
ME111676
9542
-
8.34
191.1437
10-oxo-nonadecanoic acid
-
ME111677
5312916
-
14.45
313.2735
11beta,16alpha,17alpha,21-Tetrahydroxy-9alpha-fluo...
-
ME111678
228786
C14664
6.53
437.2353
11-Chloro-8E,10E-undecadien-1-ol
11-Chloro-8e,10e-undecadien-1-ol
ME111679
44256516
-
5.98
203.1177
11H-Benz[bc]aceanthrylene
-
ME111680
164558
C19335
0.84
241.1026
1,2,3-Trihydroxybenzene
1,2,3-Trihydroxybenzene
ME111668
1057
C01108
0.83
127.0394
1,2,6-Hexanetriol
-
ME111669
7823
C20334
5.71
135.1021
14'-apo-beta-Carotenal
14'-apo-beta-Carotenal
ME111681
5280992
C06734
14.53
311.2367
16-bromo-9E-hexadecenoic acid
-
ME111682
5312946
-
8.48
333.1429
1,8-Dinitropyrene
-
ME111670
39185
C14423
2.25
293.0540
1'-Acetoxyeugenol acetate_1
1'-Acetoxyeugenol acetate
ME111683
4484222
C10427
10.54
265.1057
1'-Acetoxyeugenol acetate_2
1'-Acetoxyeugenol acetate
ME111684
4484222
C10427
7.07
265.1053
1-Aminocyclopropane-1-carboxylate
1-Aminocyclopropanecarboxylic acid
ME111685
535
C01234
1.57
102.0556
1D-1-Guanidino-3-amino-1,3-dideoxy-scyllo-inositol
-
ME111686
25200474
C01298
12.50
221.1250
1-Hydroxy-2-methyl-2-butenyl 4-diphosphate
-
ME111687
5281976
C11811
0.82
263.0088
1-O-Hexadecyl-lyso-sn-glycero-3-phosphocholine
-
ME111688
3983
C13903
12.82
482.3592
1-Phenylethylamine
-
ME111689
7408
C02455
5.60
122.0969
1-Pyrroline-2-carboxylate
1-Pyrroline-2-carboxylic acid
ME111690
440046
C03564
1.96
114.0555
1-Tridecene-3,5,7,9,11-pentayne
1-Tridecene-3,5,7,9,11-pentayne
ME111691
441552
C08464
6.27
163.0523
2,2,4-Trimethyl-3-(4-fluorophenyl)-2H-1-benzopyran...
-
ME111694
255266
C15056
8.88
327.1410
2,2-Dimethyl-8-prenylchromene 6-carboxylic acid_1
2,2-Dimethyl-8-prenylchromene 6-carboxylic acid
ME111695
441962
C09003
9.21
273.1493
2,2-Dimethyl-8-prenylchromene 6-carboxylic acid_2
2,2-Dimethyl-8-prenylchromene 6-carboxylic acid
ME111696
441962
C09003
8.38
273.1492
2,3,5-Trihydroxytoluene
2,3,5-Trihydroxytoluene
ME111697
13026
C03338
2.06
141.0546
2,3,6-Trihydroxypyridine
2,3,6-Trihydroxypyridine
ME111698
440020
C03458
1.20
128.0347
2,3-Dimethylmaleate
Dimethyl maleate
ME111699
5459894
C00922
0.83
145.0497
2,3-Diphenyl-3-(2-pyridinyl)acrylonitrile
-
ME111700
3003768
C15084
3.60
283.1225
2-(3'-Methylthio)propylmalic acid
2-(3-Methylthiopropyl)malic acid
ME111692
24883455
C17214
1.67
223.0633
2,4,5-Trichloro-2,5-cyclohexadiene-1-ol
-
ME111701
62
C06598
1.32
198.9461
2,4,6-Trichloro-4'-biphenylol
-
ME111702
105036
C14189
0.96
272.9636
2,4-Bis(acetamido)-2,4,6-trideoxy-beta-L-altropyra...
-
ME111703
56927717
C19972
5.25
247.1287
2,4-Bis(acetamido)-2,4,6-trideoxy-beta-L-altropyra...
-
ME111704
56927717
C19972
5.67
247.1284
2,4-Bis(acetamido)-2,4,6-trideoxy-beta-L-altropyra...
-
ME111705
56927717
C19972
2.08
247.1287
2,4-DP
Dichlorprop
ME111706
8427
C11020
1.33
234.9908
2,5-Dichloro-4-oxohex-2-enedioate
2,5-Dichloro-4-oxohex-2-enedioate
ME111707
11966252
C12835
0.75
226.9515
2,5-Dioxopentanoate
-
ME111708
21872870
C00433
1.67
131.0343
2-(6'-Methylthio)hexylmalic acid
-
ME111693
44237240
C17226
1.46
265.1113
2-Aceto-2-hydroxybutanoate
2-Acetolactate
ME111709
21
C00659
0.90
147.0656
2-Amino-9,10-epoxy-8-oxodecanoic acid
2-Amino-9,10-epoxy-8-oxodecanoic acid
ME111710
443587
C12027
5.57
216.1233
2-Amino-9H-pyrido[2,3-b]indole
-
ME111711
62805
C19186
3.37
184.0864
2-Aminoadenosine
2-Aminoadenosine
ME111712
72200
C00939
7.17
283.1157
2-Aminomuconate
2-Aminomuconic acid
ME111713
20849110
C02220
6.99
158.0460
2-Chloro-cis,cis-muconate
-
ME111714
9543209
C03572
1.34
176.9960
2E,4Z-Heptadien-1-ol
-
ME111715
11355460
-
6.24
113.0967
2-Ethylhexyl phthalate_1
Monoethylhexyl phthalic acid
ME111716
-
C03343
8.93
279.1582
2-Ethylhexyl phthalate_2
Monoethylhexyl phthalic acid
ME111717
-
C03343
12.12
279.1597
2-Ethylhexyl phthalate_3
Monoethylhexyl phthalic acid
ME111718
-
C03343
13.22
279.1598
2-Furoate
2-Furoic acid
ME111719
6919
C01546
0.92
113.0238
2-Hydroxycyclohexan-1-one
2-Hydroxycyclohexan-1-one
ME111720
10785
C01147
6.66
115.0759
2-Hydroxyethylphosphonate
2-Hydroxyethylphosphonic acid
ME111721
89954
C06451
1.30
127.0158
2-Hydroxymethylclavam
-
ME111722
3050259
C17357
0.83
144.0656
2-Naphthylamine_1
2-Aminonaphthalene
ME111723
7057
C02227
6.26
144.0816
2-Naphthylamine_2
2-Aminonaphthalene
ME111724
7057
C02227
6.72
144.0812
2-O-(beta-D-galactopyranosyl-(1->6)-beta-D-galacto...
-
ME111725
56936283
-
11.88
571.2985
2-Oxoglutaramate
2-Keto-glutaramic acid
ME111726
48
C00940
1.20
146.0449
2-Oxosuberate
-
ME111727
146903
C16589
6.27
189.0742
2R-aminoheptanoic acid_1
2R-Aminoheptanoic acid
ME111728
5312964
-
5.66
146.1179
2R-aminoheptanoic acid_2
2R-Aminoheptanoic acid
ME111729
5312964
-
1.86
146.1176
2R-aminoheptanoic acid_3
2R-Aminoheptanoic acid
ME111730
5312964
-
1.50
146.1178
2-Thiophenesulfonamide
-
ME111731
72881
C14764
0.30
163.9838
3-(2-Hydroxyphenyl)propanoate
3-(2-Hydroxyphenyl)propanoic acid
ME111732
6930705
C01198
11.95
167.0706
3,3'-Dimethylbisphenol A
-
ME111733
6620
C14339
11.09
257.1540
3,4-Dihydroxyphenylethyleneglycol_1
3,4-Dihydroxyphenylglycol
ME111734
91528
C05576
5.51
171.0647
3,4-Dihydroxyphenylethyleneglycol_2
3,4-Dihydroxyphenylglycol
ME111735
91528
C05576
3.04
171.0634
3,4-Methylenedioxymethamphetamine_1
3,4-Methylenedioxymethamphetamine
ME111736
1615
C07577
7.14
194.1159
3,4-Methylenedioxymethamphetamine_2
3,4-Methylenedioxymethamphetamine
ME111737
1615
C07577
5.39
194.1177
3,5,7-Trimethyl-2E,4E,6E,8E-decatetraene_1
-
ME111738
14656044
-
12.90
177.1639
3,5,7-Trimethyl-2E,4E,6E,8E-decatetraene_2
-
ME111739
14656044
-
14.36
177.1641
3,5,7-Trimethyl-2E,4E,6E,8E-decatetraene_3
-
ME111740
14656044
-
7.45
177.1641
3,5,7-Trimethyl-2E,4E,6E,8E-decatetraene_4
-
ME111741
14656044
-
11.48
177.1643
3alpha,7alpha-Dihydroxy-12-oxo-5beta-cholanate_1
-
ME111742
439472
C01292
9.49
407.2798
3alpha,7alpha-Dihydroxy-12-oxo-5beta-cholanate_2
-
ME111743
439472
C01292
10.03
407.2800
3alpha,7alpha-Dihydroxy-12-oxo-5beta-cholanate_3
-
ME111744
439472
C01292
9.13
407.2794
3alpha,7alpha-Dihydroxy-12-oxo-5beta-cholanate_4
-
ME111745
439472
C01292
9.80
407.2799
3alpha,7alpha-Dihydroxy-12-oxo-5beta-cholanate_5
-
ME111746
439472
C01292
8.86
407.2799
3-amino-octanoic acid_1
3-Aminooctanoic acid
ME111747
295606
-
3.08
160.1335
3-amino-octanoic acid_2
3-Aminooctanoic acid
ME111748
295606
-
6.67
160.1337
(3-Arylcarbonyl)-alanine_1
-
ME111643
412786
C03450
6.99
194.0812
(3-Arylcarbonyl)-alanine_2
-
ME111644
412786
C03450
10.06
194.0815
3-Chloro-4-(dichloromethyl)-5-hydroxy-2(5H)-furano...
-
ME111749
53665
C19205
0.78
216.9230
3-Chloro-D-alanine_1
3-Chloro-D-alanine
ME111750
439771
C02634
0.68
124.0148
3-Chloro-D-alanine_2
3-Chloro-D-alanine
ME111751
439771
C02634
5.01
124.0153
3-Chloro-D-alanine_3
3-Chloro-D-alanine
ME111752
439771
C02634
1.37
124.0153
3-Dehydroecdysone_1
3-Dehydroecdysone
ME111753
5460083
C02513
10.08
463.3041
3-Dehydroecdysone_2
3-Dehydroecdysone
ME111754
5460083
C02513
10.91
463.3040
3-Dehydroshikimate
3-Dehydroshikimate
ME111755
439774
C02637
1.96
173.0438
3-Deoxyvitamin D3
3-Deoxyvitamin D3
ME111756
24779628
-
16.95
369.3512
3-Ethoxyandrosta-3,5-dien-17beta-ol propanoate_1
-
ME111757
251872
C15057
9.84
373.2743
3-Ethoxyandrosta-3,5-dien-17beta-ol propanoate_2
-
ME111758
251872
C15057
9.36
373.2743
3-Hydroxyanthranilate
3-Hydroxyanthranilic acid
ME111759
86
C00632
5.13
154.0502
3-Hydroxy-L-glutamate
3-Hydroxyglutamic acid
ME111760
439897
C03066
3.11
164.0541
3-Ketosphingosine
3-Ketosphingosine
ME111761
9839212
C06121
11.28
298.2735
3-Methyl-2-oxobutanoic acid
Ketoisovaleric acid
ME111762
49
C00141
0.88
117.0552
3-Methyleneoxindole_1
3-Methyleneoxindole
ME111763
150946
C02796
6.29
146.0601
3-Methyleneoxindole_2
3-Methyleneoxindole
ME111764
150946
C02796
8.36
146.0600
3-Methyleneoxindole_3
3-Methyleneoxindole
ME111765
150946
C02796
7.43
146.0598
3-Methylguanine_1
3-Methylguanine
ME111766
76292
C02230
5.40
166.0718
3-Methylguanine_2
3-Methylguanine
ME111767
76292
C02230
2.69
166.0730
3-O-alpha-Mycarosylerythronolide B
3-O-alpha-Mycarosylerythronolide B
ME111768
441108
C06630
11.88
547.3469
3-Oxochola-1,4-dien-24-oic Acid_1
-
ME111769
5283991
-
9.50
371.2576
3-Oxochola-1,4-dien-24-oic Acid_2
-
ME111770
5283991
-
9.10
371.2579
3-Oxochola-1,4-dien-24-oic Acid_3
-
ME111771
5283991
-
10.67
371.2581
3-Sulfocatechol
3-Sulfocatechol
ME111772
9543247
C06336
1.88
191.0000
3-Sulfomuconate
-
ME111773
9543213
C06675
2.32
222.9906
3-Sulfopyruvate_1
3-Sulfopyruvic acid
ME111774
440717
C05528
1.37
168.9815
3-Sulfopyruvate_2
3-Sulfopyruvic acid
ME111775
440717
C05528
1.94
168.9787
3-tert-Butyl-5-methylcatechol_1
3-tert-Butyl-5-methylcatechol
ME111776
66095
C03929
10.06
181.1224
3-tert-Butyl-5-methylcatechol_2
3-tert-Butyl-5-methylcatechol
ME111777
66095
C03929
14.37
181.1224
4,10-undecadiynal
-
ME111779
5283360
-
9.79
163.1119
4,6'-Epoxyorotiniflavan-4-ol
-
ME111780
44257141
-
11.36
437.1948
4,7-dioxo-octanoic acid
4,7-Dioxo-octanoic acid
ME111781
244084
-
8.20
173.0827
4-Acetamidobutanoate_1
4-Acetamidobutanoic acid
ME111782
6991994
C02946
4.55
146.0813
4-Acetamidobutanoate_2
4-Acetamidobutanoic acid
ME111783
6991994
C02946
1.29
146.0814
4-Amino-2-hydroxylamino-6-nitrotoluene_1
-
ME111784
9543061
C16403
12.27
184.0733
4-Amino-2-hydroxylamino-6-nitrotoluene_2
-
ME111785
9543061
C16403
11.86
184.0734
4-Aminobiphenyl
4-Aminobiphenyl
ME111786
7102
C10998
12.26
170.0968
4-Aminobutanoate
gamma-Aminobutyric acid
ME111787
119
C00334
0.88
104.0712
4-Cumylphenol
4-Cumylphenol
ME111788
11742
C14258
12.70
213.1276
4-Dodecylphenol_1
4-Dodecylphenol
ME111789
66030
C14245
14.61
263.2368
4-Dodecylphenol_2
4-Dodecylphenol
ME111790
66030
C14245
13.79
263.2365
4-Fluorocyclohexadiene-cis,cis-1,2-diol_1
-
ME111791
11829464
C16483
5.39
131.0495
4-Fluorocyclohexadiene-cis,cis-1,2-diol_2
-
ME111792
11829464
C16483
8.04
131.0496
4-Guanidinobutanal_1
4-Guanidinobutanal
ME111793
559
C02647
1.73
130.0978
4-Guanidinobutanal_2
4-Guanidinobutanal
ME111794
559
C02647
4.95
130.0977
4-Guanidinobutanoate_1
4-Guanidinobutanoic acid
ME111795
500
C01035
6.72
146.0934
4-Guanidinobutanoate_2
4-Guanidinobutanoic acid
ME111796
500
C01035
1.72
146.0925
4-Hydroxy-3-nitrosobenzamide
4-Hydroxy-3-nitrosobenzamide
ME111797
443631
C12114
2.29
167.0467
4-Hydroxy-4-methylglutamate
(2S,4S)-4-Amino-2-hydroxy-2-methylpentanedioic acid
ME111798
23377630
C06034
1.00
178.0711
4-Hydroxybutanoic acid_1
4-Hydroxybutyric acid
ME111799
10413
C00989
2.51
105.0551
4-Hydroxybutanoic acid_2
4-Hydroxybutyric acid
ME111800
10413
C00989
2.28
105.0552
4-Hydroxybutanoic acid_3
4-Hydroxybutyric acid
ME111801
10413
C00989
1.90
105.0550
4-Hydroxyphenylacetate
4-Hydroxyphenyl acetate
ME111802
127
C00642
7.65
153.0552
4-Ketocyclophosphamide
4-Ketocyclophosphamide
ME111803
33676
C07644
6.68
275.0133
4'-Methoxychalcone
-
ME111804
641818
-
0.81
239.1066
4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol
4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol
ME111778
104856
C19574
6.26
210.1255
4-Nitrophenol
4-Nitrophenol
ME111805
980
C00870
3.09
140.0346
4-Oxoproline_1
4-Oxo-proline
ME111806
107541
C01877
1.96
130.0501
4-Oxoproline_2
4-Oxo-proline
ME111807
107541
C01877
0.81
130.0500
4-Phenethylphenol
-
ME111808
80630
C14340
6.54
199.1102
4-Prenylresveratrol
4-Prenylresveratrol
ME111809
5281725
C10285
12.41
297.1485
4-Pyridoxate
4-Pyridoxic acid
ME111810
6723
C00847
5.15
184.0602
4-Vinylcyclohexene
-
ME111811
7499
C19310
7.22
109.1019
(4Z,7Z,10Z,13Z,16Z,19Z)-Docosahexaenoic acid_1
DHA
ME111645
445580
C06429
14.19
329.2475
(4Z,7Z,10Z,13Z,16Z,19Z)-Docosahexaenoic acid_2
DHA
ME111646
445580
C06429
12.77
329.2474
(4Z,7Z,10Z,13Z,16Z,19Z)-Docosahexaenoic acid ethyl...
-
ME111647
9831416
C16185
11.09
357.2793
(4Z,7Z,10Z,13Z,16Z,19Z)-Docosahexaenoic acid ethyl...
-
ME111648
9831416
C16185
10.21
357.2782
(4Z,7Z,10Z,13Z,16Z,19Z)-Docosahexaenoic acid ethyl...
-
ME111649
9831416
C16185
9.16
357.2771
(4Z,7Z,10Z,13Z,16Z,19Z)-Docosahexaenoic acid ethyl...
-
ME111650
9831416
C16185
14.88
357.2778
5-(2-Hydroxyethyl)-4-methylthiazole
5-(2-Hydroxyethyl)-4-methylthiazole
ME111812
1136
C04294
1.46
144.0484
5,6-Dihydrothymine_1
Dihydrothymine
ME111813
93556
C00906
0.99
129.0659
5,6-Dihydrothymine_2
Dihydrothymine
ME111814
93556
C00906
2.52
129.0662
5,6-Dihydrouracil
Dihydrouracil
ME111815
649
C00429
1.34
115.0507
5,7,9,11,13-tetradecapentaenoic acid_1
-
ME111816
5312410
-
11.58
219.1380
5,7,9,11,13-tetradecapentaenoic acid_2
-
ME111817
5312410
-
12.45
219.1378
5,7,9,11,13-tetradecapentaenoic acid_3
-
ME111818
5312410
-
14.08
219.1383
5-Acetamidopentanoate_1
5-Acetamidovaleric acid
ME111819
439903
C03087
2.31
160.0970
5-Acetamidopentanoate_2
5-Acetamidovaleric acid
ME111820
439903
C03087
5.92
160.0970
5-Acetamidopentanoate_3
5-Acetamidovaleric acid
ME111821
439903
C03087
1.30
160.0971
5alpha-Androstan-17beta-ol propionate
-
ME111822
238386
C15373
15.32
333.2789
5-Aminolevulinate_1
5-Amino-levulinic acid
ME111823
137
C00430
0.85
132.0659
5-Aminolevulinate_2
5-Amino-levulinic acid
ME111824
137
C00430
2.06
132.0657
5-Aminolevulinate_3
5-Amino-levulinic acid
ME111825
137
C00430
2.72
132.0638
5-exo-Hydroxy-1,2-campholide
5-exo-Hydroxy-1,2-campholide
ME111826
440138
C03843
7.53
185.1154
5-Guanidino-2-oxopentanoate
2-Oxoarginine
ME111827
558
C03771
1.22
174.0876
5-Hydroxyindoleacetate_1
5-Hydroxyindoleacetic acid
ME111828
1826
C05635
6.81
192.0657
5-Hydroxyindoleacetate_2
5-Hydroxyindoleacetic acid
ME111829
1826
C05635
7.09
192.0658
5-Hydroxy-L-tryptophan_1
5-Hydroxy-tryptophan
ME111830
439280
C00643
3.87
221.0920
5-Hydroxy-L-tryptophan_2
5-Hydroxy-tryptophan
ME111831
439280
C00643
2.40
221.0921
5-Hydroxy-L-tryptophan_3
5-Hydroxy-tryptophan
ME111832
439280
C00643
5.57
221.0918
5-Hydroxypentanoate_1
5-Hydroxyvaleric acid
ME111833
25945
C02804
6.26
119.0722
5-Hydroxypentanoate_2
5-Hydroxyvaleric acid
ME111834
25945
C02804
0.96
119.0705
5-L-Glutamyl-taurine
5-L-Glutamyl-taurine
ME111835
68759
C05844
8.75
255.0654
5-Methylthiopentanaldoxime
5-Methylthiopentanaldoxime
ME111836
25010757
C17245
0.81
148.0808
5-Nitro-ortho-anisidine
2-Methoxy-5-nitroaniline
ME111837
7447
C19469
0.81
169.0589
5-N-Methyloxaluric acid
-
ME111838
443075
C11117
1.18
147.0409
5-O-Methyl-myo-inositol
1D-5-O-Methyl-myo-inositol
ME111839
439990
C03365
6.99
195.0852
5S-HETE di-endoperoxide
5S-HETE di-endoperoxide
ME111840
52921873
-
13.57
403.2334
5-Sulfosalicylate_1
5-Sulfosalicylic acid
ME111841
7322
C16199
4.31
218.9951
5-Sulfosalicylate_2
5-Sulfosalicylic acid
ME111842
7322
C16199
3.95
218.9948
5-Sulfosalicylate_3
5-Sulfosalicylic acid
ME111843
7322
C16199
2.28
218.9957
5-Ureido-4-imidazole carboxylate_1
-
ME111844
155
C05515
6.67
171.0497
5-Ureido-4-imidazole carboxylate_2
-
ME111845
155
C05515
0.97
171.0515
6,8-Dimethyl-6,7,8,9-tetradehydroergoline
-
ME111846
57339211
C20457
13.80
238.1460
6,8-Dimethyl-6,7-didehydroergoline_1
-
ME111847
57339187
C20409
16.17
240.1621
6,8-Dimethyl-6,7-didehydroergoline_2
-
ME111848
57339187
C20409
15.76
240.1623
(6Z,9Z,12Z)-Octadecatrienoic acid_1
gamma-Linolenic acid
ME111651
5280933
C06426
12.12
279.2320
(6Z,9Z,12Z)-Octadecatrienoic acid_2
gamma-Linolenic acid
ME111652
5280933
C06426
12.01
279.2321
(6Z,9Z,12Z)-Octadecatrienoic acid_3
gamma-Linolenic acid
ME111653
5280933
C06426
13.95
279.2319
7,8-Diaminononanoate
7,8-Diaminononanoic acid
ME111849
652
C01037
0.82
189.1602
7-Chloroemodin
7-Chloroemodin
ME111850
442729
C10311
6.27
305.0221
7-oxo-11E,13-Tetradecadienoic acid_1
-
ME111851
44256504
-
12.31
239.1644
7-oxo-11E,13-Tetradecadienoic acid_2
-
ME111852
44256504
-
10.06
239.1644
8-Deoxylactucin
Deoxylactucin
ME111853
442196
C09392
9.71
261.1102
(8Z,11Z,14Z)-Icosatrienoic acid
Dihomo-gamma-linolenic acid
ME111654
5280581
C03242
14.93
307.2627
9,12,13-TriHOME_1
9,12,13-TriHOME
ME111854
9858729
C14833
10.34
331.2484
9,12,13-TriHOME_2
9,12,13-TriHOME
ME111855
9858729
C14833
9.77
331.2483
9,12,15-Octadecatrien-1-ol
-
ME111856
5367327
-
16.48
265.2528
9,12-Hexadecadienylcarnitine
-
ME111857
-
-
13.12
424.3416
9-amino-nonanoic acid
9-Aminononanoic acid
ME111858
136877
-
5.27
174.1487
(9Z)-Hexadecenoic acid_1
Palmitoleic acid
ME111655
445638
C08362
11.73
255.2322
(9Z)-Hexadecenoic acid_2
Palmitoleic acid
ME111656
445638
C08362
14.37
255.2323
(9Z)-Hexadecenoic acid_3
Palmitoleic acid
ME111657
445638
C08362
12.77
255.2323
(9Z)-Hexadecenoic acid_4
Palmitoleic acid
ME111658
445638
C08362
12.36
255.2322
(9Z)-Octadecenoic acid
Oleic acid
ME111659
445639
C00712
15.75
283.2640
Abacavir
Abacavir
ME111859
441300
C07624
6.42
287.1607
Abietate_1
Abietic acid
ME111860
10569
C06087
13.85
303.2315
Abietate_2
Abietic acid
ME111861
10569
C06087
12.50
303.2319
Acutumidine
Acutumidine
ME111862
442840
C10565
0.81
384.1204
Agroclavine_1
Agroclavine
ME111863
73484
C09023
14.57
239.1538
Agroclavine_2
Agroclavine
ME111864
73484
C09023
14.76
239.1535
Alantolactone_1
Alantolactone
ME111865
72724
C09289
12.53
233.1536
Alantolactone_2
Alantolactone
ME111866
72724
C09289
14.19
233.1548
Albafuran A
-
ME111867
5281297
C08732
8.56
379.1919
Allantoate
Allantoic acid
ME111868
203
C00499
0.75
177.0612
Allantoin
Allantoin
ME111869
204
C01551
0.91
159.0512
Allidochlor_1
-
ME111870
7157
C19043
11.72
174.0678
Allidochlor_2
-
ME111871
7157
C19043
12.77
174.0679
alpha-Ergocryptine
-
ME111872
134551
C07545
11.87
576.3192
alpha-Erythroidine
alpha-Erythroidine
ME111873
441076
C06531
11.34
274.1451
alpha-Ethyl-alpha,beta-diphenyl-2-pyridineethanol
-
ME111874
231445
C15028
13.67
304.1714
alpha-Ionone_1
alpha-Ionone
ME111875
5282108
C12286
14.62
193.1588
alpha-Ionone_2
alpha-Ionone
ME111876
5282108
C12286
15.33
193.1586
alpha-Methylstyrene_1
-
ME111877
7407
C14395
9.22
119.0859
alpha-Methylstyrene_2
-
ME111878
7407
C14395
11.36
119.0860
alpha-Oxo-benzeneacetic acid
Phenylglyoxylic acid
ME111879
11915
C02137
6.67
151.0393
alpha-Ribazole
alpha-Ribazole
ME111880
160433
C05775
5.89
279.1336
alpha-Santonin
alpha-Santonin
ME111881
221071
C02206
13.81
247.1318
alpha-Sinensal_1
Sinensal
ME111882
5281534
C09729
12.83
219.1744
alpha-Sinensal_2
Sinensal
ME111883
5281534
C09729
15.93
219.1743
Aminoimidazole ribotide
AIR
ME111884
161500
C03373
0.86
296.0654
Ammeline
Ammeline
ME111885
12583
C08733
5.49
128.0547
Anandamide (18:3, n-6)
gamma-Linolenoyl-EA
ME111886
5283445
-
14.61
322.2742
(-)-Annonaine
-
ME111638
160597
C09339
1.46
266.1156
Anthopleurine
-
ME111887
14844435
C16994
5.60
178.1063
Anthranilate
2-Aminobenzoic acid
ME111888
227
C00108
7.39
138.0552
Apigenin
Apigenin
ME111889
5280443
C01477
9.71
271.0608
Arachidonate_1
Arachidonic acid
ME111890
444899
C00219
14.39
305.2470
Arachidonate_2
Arachidonic acid
ME111891
444899
C00219
12.71
305.2470
Arnebinol
-
ME111892
5281558
C09917
14.19
245.1537
Aromatic aldehyde_1
Benzaldehyde
ME111893
240
C00193
5.40
107.0497
Aromatic aldehyde_2
Benzaldehyde
ME111894
240
C00193
3.37
107.0494
Aspartame_1
Aspartame
ME111895
134601
C11045
6.40
295.1294
Aspartame_2
Aspartame
ME111896
134601
C11045
11.02
295.1273
Bakkenolide A_1
Bakkenolide A
ME111897
442173
C09350
14.37
235.1695
Bakkenolide A_2
Bakkenolide A
ME111898
442173
C09350
12.73
235.1697
Bakkenolide A_3
Bakkenolide A
ME111899
442173
C09350
14.60
235.1695
Batrachotoxin
Batrachotoxin
ME111900
6324647
C13750
11.94
539.3135
Bentazone-sodium
-
ME111901
13124860
C18594
6.86
263.0459
Benz[a]acridine_1
-
ME111902
9180
C19337
1.22
230.0957
Benz[a]acridine_2
-
ME111903
9180
C19337
14.34
230.0971
Benz[a]acridine_3
-
ME111904
9180
C19337
9.33
230.0959
Benzimidazole
1H-Benzimidazole
ME111905
5798
C02009
0.88
119.0589
Benzoate
Benzoic acid
ME111906
243
C00180
3.37
123.0445
Benzofuran
Benzofuran
ME111907
9223
C14512
5.68
119.0494
Benzotrichloride
-
ME111908
7367
C19166
2.29
194.9511
Benzoyl phosphate
Benzoyl phosphate
ME111909
151426
C06206
2.29
203.0120
Benzyl 2-methyl-3-oxobutanoate
Benzyl 2-methyl-3-oxobutanoate
ME111910
440192
C04000
6.27
207.1023
Benzyl nicotinate
Benzyl nicotinate
ME111911
7191
C12865
7.46
214.0855
beta-Carboline
beta-Carboline
ME111912
64961
C20157
7.03
169.0764
Betamethasone
Betamethasone
ME111913
9782
C06848
6.37
393.2088
Biochanin A
Biochanin A
ME111914
5280373
C00814
8.82
285.0769
Biotin
Biotin
ME111915
171548
C00120
1.74
245.0964
Bis(chloromethyl) ether
-
ME111916
10967
C19158
0.14
114.9726
Bixin_1
Bixin
ME111917
6376436
C08582
15.63
395.2208
Bixin_2
Bixin
ME111918
6376436
C08582
15.88
395.2208
(+)-Bornane-2,5-dione_1
Bornane-2,5-dione
ME111640
20218
C03037
6.83
167.1067
(+)-Bornane-2,5-dione_2
Bornane-2,5-dione
ME111641
20218
C03037
14.39
167.1066
(+)-Bornane-2,5-dione_3
Bornane-2,5-dione
ME111642
20218
C03037
12.48
167.1070
Botrydial
Botrydial
ME111919
185781
C09622
10.79
311.1846
Buclizine
Buclizine
ME111920
6729
C07777
11.36
433.2413
Bufadienolide
-
ME111921
-
C16921
9.87
355.2635
Buprenorphine_1
Buprenorphine
ME111922
644073
C08007
11.32
468.3100
Buprenorphine_2
Buprenorphine
ME111923
644073
C08007
13.33
468.3109
Buprenorphine_3
Buprenorphine
ME111924
644073
C08007
12.71
468.3092
Butabarbital_1
Butabarbital
ME111925
2479
C07827
5.13
213.1235
Butabarbital_2
Butabarbital
ME111926
2479
C07827
12.51
213.1233
Calcium glycerophosphate
-
ME111927
-
C12935
0.86
210.9677
Calystegin B2
Calystegin B2
ME111928
443000
C10851
2.85
176.0924
Capillanol
-
ME111929
5315669
C17783
10.18
175.1118
CCCP
CCCP
ME111930
2603
C11164
1.35
205.0289
Cholesterol sulfate
Cholesterol sulfate
ME111931
65076
C18043
8.80
467.3210
Cinnamaldehyde_1
Cinnamaldehyde
ME111932
637511
C00903
9.81
133.0650
Cinnamaldehyde_2
Cinnamaldehyde
ME111933
637511
C00903
2.72
133.0658
Cinnamaldehyde_3
Cinnamaldehyde
ME111934
637511
C00903
7.23
133.0649
cis-2,3-Dihydro-2,3-dihydroxybiphenyl_1
(1S,2R)-3-Phenylcyclohexa-3,5-diene-1,2-diol
ME111935
5459789
C06589
10.21
189.0916
cis-2,3-Dihydro-2,3-dihydroxybiphenyl_2
(1S,2R)-3-Phenylcyclohexa-3,5-diene-1,2-diol
ME111936
5459789
C06589
10.09
189.0914
Clopyralid
Clopyralid
ME111937
15553
C18779
0.93
191.9624
Codeinone
Codeinone
ME111938
5459910
C06171
12.43
298.1447
Corticosterone_1
Corticosterone
ME111939
5753
C02140
9.33
347.2225
Corticosterone_2
Corticosterone
ME111940
5753
C02140
9.89
347.2232
Coumarin_1
Coumarin
ME111941
18327169
C05851
3.53
147.0444
Coumarin_2
Coumarin
ME111942
18327169
C05851
7.53
147.0444
Coumestrol 3-O-glucoside
-
ME111943
44257528
-
7.13
431.0961
Creatine
Creatine
ME111944
586
C00300
1.01
132.0770
Crotanecine_1
Crotanecine
ME111945
394146
C10284
1.92
172.0969
Crotanecine_2
Crotanecine
ME111946
394146
C10284
4.55
172.0968
Cucurbic acid_1
Cucurbic acid
ME111947
5281159
C08482
13.54
213.1470
Cucurbic acid_2
Cucurbic acid
ME111948
5281159
C08482
9.22
213.1480
Cyclohexane-1,3-dione_1
Cyclohexane-1,3-dione
ME111949
10434
C01066
2.42
113.0602
Cyclohexane-1,3-dione_2
Cyclohexane-1,3-dione
ME111950
10434
C01066
10.52
113.0602
Cyclohexane-1,3-dione_3
Cyclohexane-1,3-dione
ME111951
10434
C01066
3.42
113.0601
Cyclohexylsulfamate
Cyclamic acid
ME111952
7533
C02824
6.54
180.0704
Cytidine
Cytidine
ME111953
6175
C00475
1.74
244.0927
Cytosine_1
Cytosine
ME111954
597
C00380
1.73
112.0509
Cytosine_2
Cytosine
ME111955
597
C00380
2.29
112.0511
Deazaflavin
-
ME111956
5376058
C01800
1.18
214.0596
Debromoaplysiatoxin
-
ME111957
2967
C05148
8.50
593.3316
Decoside
Decoside
ME111958
441854
C08860
11.44
547.2876
Deethylatrazine
6-Chloro-N-(1-methylethyl)-1,3,5-triazine-2,4-diamine
ME111959
22563
C06559
6.26
188.0709
Dehydrospermidine
-
ME111960
23657850
C15853
1.17
144.1478
Deisopropyldeethylatrazine
-
ME111961
18831
C06560
1.33
146.0231
Dethiobiotin_1
Dethiobiotin
ME111962
445027
C01909
5.35
215.1396
Dethiobiotin_2
Dethiobiotin
ME111963
445027
C01909
7.04
215.1389
D-Galactose 6-sulfate
Galactose 6-sulfate
ME111964
439386
C01067
2.35
261.0282
D-Glucarate
Glucaric acid
ME111965
33037
C00818
1.01
211.0440
D-Glucose
Glucose
ME111966
5793
C00031
6.67
181.0691
Diacetylaminoazotoluene
-
ME111967
6751
C17380
12.61
310.1534
Dienestrol_1
-
ME111968
667476
C08090
11.59
267.1399
Dienestrol_2
-
ME111969
667476
C08090
12.16
267.1380
Diethylene glycol_1
Diethylene glycol
ME111970
8117
C14689
1.69
107.0710
Diethylene glycol_2
Diethylene glycol
ME111971
8117
C14689
7.53
107.0708
Diethylpropion
Diethylpropion
ME111972
7029
C06954
5.16
206.1520
Difenpiramide_1
-
ME111973
100472
C17720
11.94
289.1349
Difenpiramide_2
-
ME111974
100472
C17720
8.94
289.1346
Dihydro-4,4-dimethyl-2,3-furandione_1
2-Dehydropantolactone
ME111975
39
C01125
3.88
129.0553
Dihydro-4,4-dimethyl-2,3-furandione_2
2-Dehydropantolactone
ME111976
39
C01125
0.94
129.0548
Dihydro-4,4-dimethyl-2,3-furandione_3
2-Dehydropantolactone
ME111977
39
C01125
1.69
129.0527
Dimepiperate
-
ME111978
91679
C14571
6.32
264.1422
Dimethisterone
Dimethisterone
ME111979
6607
C07628
9.36
341.2477
Dinitrochlorobenzene_1
-
ME111980
6
C14397
2.32
202.9854
Dinitrochlorobenzene_2
-
ME111981
6
C14397
1.87
202.9852
Dinitrochlorobenzene_3
-
ME111982
6
C14397
1.47
202.9873
Diosgenin_1
Diosgenin
ME111983
99474
C08898
11.48
415.3225
Diosgenin_2
Diosgenin
ME111984
99474
C08898
10.13
415.3225
D-Lysopine
D-Lysopine
ME111985
193187
C04020
1.34
219.1344
Dobutamine
-
ME111986
36811
C06967
13.65
302.1763
D-Octopine
D-Octopine
ME111987
108172
C04137
2.14
247.1394
Dodecanamide
Dodecanamide
ME111988
14256
C13831
11.20
200.2010
Dodemorph
-
ME111989
61899
C18786
14.54
282.2789
Dopamine
Dopamine
ME111990
681
C03758
4.69
154.0865
D-Ribitol 5-phosphate
D-Ribitol 5-phosphate
ME111991
151104
C01068
1.18
233.0420
D-Ribose
Ribose
ME111992
5779
C00121
1.57
151.0619
(E)-4-(Trimethylammonio)but-2-enoate
(E)-4-(Trimethylammonio)but-2-enoate
ME111660
5462194
C04114
1.17
144.1022
Epothilone C
-
ME111993
9891226
C15694
9.52
478.2617
Ethephon
-
ME111994
27982
C18399
0.26
144.9824
Etidronic acid
Etidronic acid
ME111995
3305
C07736
1.89
206.9799
Etodolac
Etodolac
ME111996
3308
C06991
12.42
288.1604
Fagomine_1
Fagomine
ME111997
72259
C10144
1.33
148.0970
Fagomine_2
Fagomine
ME111998
72259
C10144
1.99
148.0968
Felbamate
Felbamate
ME111999
3331
C07501
5.37
239.1028
Fenoprofen
Fenoprofen
ME112000
3342
C06997
8.02
243.1012
Ferricyanide_1
-
ME112001
439210
C00324
2.28
212.9614
Ferricyanide_2
-
ME112002
439210
C00324
1.53
212.9590
Fexofenadine
Fexofenadine
ME112003
3348
C06999
11.73
502.2929
Fludrocortisone acetate
Fludrocortisone acetate
ME112004
225609
C08186
8.11
423.2169
Furfural diethyl acetal_1
-
ME112005
83553
C14280
6.32
171.0996
Furfural diethyl acetal_2
-
ME112006
83553
C14280
12.27
171.0998
Furfural diethyl acetal_3
-
ME112007
83553
C14280
7.88
171.1018
Fusicoccin H_1
-
ME112008
5281364
C09093
11.15
483.2964
Fusicoccin H_2
-
ME112009
5281364
C09093
9.73
483.2975
gamma-Coniceine
gamma-Coniceine
ME112010
442632
C10138
5.43
126.1282
gamma-Glutamyl-gamma-aminobutyraldehyde
gamma-Glutamyl-gamma-aminobutyraldehyde
ME112011
23724544
C15700
2.87
217.1186
gamma-L-Glutamyl-D-alanine
gamma-L-Glutamyl-D-alanine
ME112012
25200557
C03738
1.39
219.0969
gamma-L-Glutamyl-L-cysteinyl-beta-alanine
Homoglutathione
ME112013
7098648
C04544
3.03
322.1064
Glutarate_1
Glutaric acid
ME112014
743
C00489
2.88
133.0497
Glutarate_2
Glutaric acid
ME112015
743
C00489
0.90
133.0498
Glycocholate_1
Glycocholic acid
ME112016
10140
C01921
9.23
466.3173
Glycocholate_2
Glycocholic acid
ME112017
10140
C01921
8.75
466.3166
Glycyl-leucine_1
Gly-Leu
ME112018
92843
C02155
1.57
189.1233
Glycyl-leucine_2
Gly-Leu
ME112019
92843
C02155
1.39
189.1233
Glycyl-leucine_3
Gly-Leu
ME112020
92843
C02155
5.59
189.1235
GV 150013X
-
ME112021
5311147
C15096
9.87
535.2708
Gymnodimine_1
Gymnodimine
ME112022
11649137
C20025
12.09
508.3401
Gymnodimine_2
Gymnodimine
ME112023
11649137
C20025
13.33
508.3401
Heneicosanedioic acid_1
Heneicosanedioic acid
ME112024
9543668
-
14.51
357.2999
Heneicosanedioic acid_2
Heneicosanedioic acid
ME112025
9543668
-
14.70
357.2999
hexadecanedioic acid mono-L-carnitine ester
CAR 16:2
ME112026
566787
-
10.21
430.3162
Hexadecasphinganine
C16 Sphinganine
ME112027
656816
C13915
10.60
274.2741
Hexylamine
Hexylamine
ME112028
8102
C08306
5.22
102.1283
Himbacine
-
ME112029
6436265
C10598
14.38
346.2741
Hippurate
Hippuric acid
ME112030
464
C01586
6.67
180.0656
Histamine
Histamine
ME112031
774
C00388
0.76
112.0875
Hoechst 33342
-
ME112032
1464
C11189
7.53
453.2417
Homostachydrine
(S)-Homostachydrine
ME112033
441447
C08283
1.90
158.1177
Imazaquin
-
ME112034
54739
C05076
11.86
312.1343
Indole_1
Indole
ME112035
798
C00463
5.40
118.0655
Indole_2
Indole
ME112036
798
C00463
6.27
118.0658
Indole_3
Indole
ME112037
798
C00463
14.45
118.0655
Indole-3-acetaldehyde_1
Indoleacetaldehyde
ME112039
800
C00637
5.60
160.0760
Indole-3-acetaldehyde_2
Indoleacetaldehyde
ME112040
800
C00637
6.27
160.0762
Indole-3-acetate_1
Indoleacetic acid
ME112041
802
C00954
8.47
176.0709
Indole-3-acetate_2
Indoleacetic acid
ME112042
802
C00954
5.56
176.0709
Indole_4
Indole
ME112038
798
C00463
6.67
118.0656
Indoleamine
-
ME112043
230280
C01819
1.01
133.0741
Indolelactate
Indolelactic acid
ME112044
92904
C02043
7.89
206.0810
Indospicine
Indospicine
ME112045
108010
C08288
5.20
174.1238
Ipazine
-
ME112046
15950
C19103
9.48
244.1310
Isodomedin
Isodomedin
ME112047
442045
C09115
8.57
393.2252
Isoquinoline_1
Isoquinoline
ME112048
8405
C06323
9.16
130.0655
Isoquinoline_2
Isoquinoline
ME112049
8405
C06323
6.26
130.0650
Isoquinoline_3
Isoquinoline
ME112050
8405
C06323
5.76
130.0656
Isovalerylcarnitine
CAR 4:0;3Me
ME112051
6426851
C20826
6.74
246.1697
(-)-Jolkinol A
-
ME111639
42608246
-
7.02
481.2602
Karwinaphthol B
Karwinaphthol B
ME112052
442522
C09942
12.61
289.1420
Ketoprofen
Ketoprofen
ME112053
3825
C01716
11.02
255.1031
L-2,4-Diaminobutanoate_1
2,4-Diaminobutyric acid
ME112054
134490
C03283
0.91
119.0835
L-2,4-Diaminobutanoate_2
2,4-Diaminobutyric acid
ME112055
134490
C03283
1.25
119.0835
L-2-Aminoadipate_1
alpha-Aminoadipic acid
ME112056
92136
C00956
1.03
162.0762
L-2-Aminoadipate_2
alpha-Aminoadipic acid
ME112057
92136
C00956
1.91
162.0760
L-Arginine
Arginine
ME112058
6322
C00062
0.81
175.1192
L-Asparagine_1
Asparagine
ME112059
6267
C00152
1.34
133.0611
L-Asparagine_2
Asparagine
ME112060
6267
C00152
0.81
133.0610
L-Aspartate 4-semialdehyde
Aspartate-semialdehyde
ME112061
439235
C00441
1.26
118.0513
Latia luciferin
Latia luciferin
ME112062
5280505
C02293
12.53
237.1847
L-Carnitine
Carnitine
ME112063
288
C00318
1.07
162.1127
L-Citrulline_1
Citrulline
ME112064
9750
C00327
1.30
176.1030
L-Citrulline_2
Citrulline
ME112065
9750
C00327
0.89
176.1030
L-Cysteate
Cysteic acid
ME112066
7140381
C00506
1.38
170.0125
Lemobiline
Lemobiline
ME112067
442917
C10705
10.91
244.1327
Leukotriene A4_1
LTA4
ME112068
5280383
C00909
10.04
319.2264
Leukotriene A4_2
LTA4
ME112069
5280383
C00909
11.76
319.2255
Levetiracetam
Levetiracetam
ME112070
5284583
C07841
5.83
171.1133
L-Glutamate_1
Glutamic acid
ME112071
33032
C00025
6.95
148.0621
L-Glutamate_2
Glutamic acid
ME112072
33032
C00025
0.87
148.0605
L-Glutamate_3
Glutamic acid
ME112073
33032
C00025
1.20
148.0607
L-Glutamine
Glutamine
ME112074
5961
C00064
0.81
147.0765
L-Histidine
Histidine
ME112075
6274
C00135
0.81
156.0770
L-Homocysteic acid
Homocysteic acid
ME112076
177491
C16511
2.30
184.0285
Lichenin_1
Lichenin
ME112077
439241
C00478
0.85
163.0600
Lichenin_2
Lichenin
ME112078
439241
C00478
3.11
163.0611
L-Iduronate 2-sulfate_1
L-Iduronate 2-sulfate
ME112079
439915
C03126
2.37
275.0069
L-Iduronate 2-sulfate_2
L-Iduronate 2-sulfate
ME112080
439915
C03126
1.36
275.0083
Linoleamide_1
Linoleamide
ME112081
6435901
-
13.74
280.2629
Linoleamide_2
Linoleamide
ME112082
6435901
-
11.28
280.2630
Linoleate_1
Linoleic acid
ME112083
5280450
C01595
14.65
281.2478
Linoleate_2
Linoleic acid
ME112084
5280450
C01595
12.29
281.2477
Linoleate_3
Linoleic acid
ME112085
5280450
C01595
11.59
281.2475
L-Kynurenine
Kynurenine
ME112086
161166
C00328
5.48
209.0922
L-Leucine_1
Leucine
ME112087
6106
C00123
2.72
132.1022
L-Leucine_2
Leucine
ME112088
6106
C00123
2.41
132.1022
L-Lysine
Lysine
ME112089
5962
C00047
0.70
147.1128
L-Methionine
Methionine
ME112090
6137
C00073
1.57
150.0586
L-Methionine S-oxide_1
Methionine sulfoxide
ME112091
158980
C02989
8.45
166.0525
L-Methionine S-oxide_2
Methionine sulfoxide
ME112092
158980
C02989
0.88
166.0533
L-Methionine S-oxide_3
Methionine sulfoxide
ME112093
158980
C02989
1.57
166.0539
L-Octanoylcarnitine
CAR 8:0
ME112094
11953814
C02838
9.01
288.2171
L-Olivosyl-oleandolide_1
L-Olivosyl-oleandolide
ME112095
443565
C11991
9.04
517.3014
L-Olivosyl-oleandolide_2
L-Olivosyl-oleandolide
ME112096
443565
C11991
9.86
517.3009
L-Ornithine
Ornithine
ME112097
6262
C00077
0.70
133.0974
Lovastatin
Lovastatin
ME112098
53232
C07074
9.24
405.2647
L-Palmitoylcarnitine
CAR 16:0
ME112099
11953816
C02990
13.86
400.3417
L-Phenylalanine
Phenylalanine
ME112100
6140
C00079
5.39
166.0866
L-Pipecolate_1
Pipecolic acid
ME112101
439227
C00408
1.32
130.0866
L-Pipecolate_2
Pipecolic acid
ME112102
439227
C00408
3.04
130.0866
L-Proline
Proline
ME112103
145742
C00148
0.96
116.0711
L-Serine
Serine
ME112104
5951
C00065
0.81
106.0503
L-Threonine_1
Threonine
ME112105
6288
C00188
1.07
120.0660
L-Threonine_2
Threonine
ME112106
6288
C00188
0.82
120.0660
L-Tryptophan
Tryptophan
ME112107
6305
C00078
6.27
205.0980
L-Tyrosine
Tyrosine
ME112108
6057
C00082
3.37
182.0814
L-Valine_1
Valine
ME112109
6287
C00183
1.26
118.0867
L-Valine_2
Valine
ME112110
6287
C00183
0.91
118.0867
Lycodine
Lycodine
ME112111
5462443
C09876
0.94
243.1838
Lythramine_1
Lythramine
ME112112
442864
C10604
9.88
480.2768
Lythramine_2
Lythramine
ME112113
442864
C10604
8.96
480.2764
Maculosin
Cyclo(Pro-Tyr)
ME112114
119404
C10605
6.32
261.1235
Magnoshinin
Magnoshinin
ME112115
135783
C10658
11.36
415.2127
Mandelonitrile
2-Hydroxy-2-phenylacetonitrile
ME112116
10758
C00561
7.42
134.0603
Mannitol
Mannitol
ME112117
6251
C00392
3.36
183.0849
Mansonone C
-
ME112118
21742
C10371
11.81
229.1221
Mebenil
-
ME112119
23466
C18913
1.37
212.1052
Mercury(2+)
-
ME112120
26623
C00703
0.79
202.9784
Metalaxyl
Metalaxyl
ME112121
42586
C10947
7.18
280.1536
Methohexital
Methohexital
ME112122
9034
C07844
6.70
263.1390
Methyl 2-diazoacetamidohexonate
Methyl 2-diazoacetamidohexonate
ME112123
439447
C01223
6.40
215.1257
Methyl acetyl ricinoleate
-
ME112124
5282107
C12280
13.78
355.2838
Methylimidazoleacetic acid_1
Methylimidazoleacetic acid
ME112126
75810
C05828
1.59
141.0661
Methylimidazoleacetic acid_2
Methylimidazoleacetic acid
ME112127
75810
C05828
1.07
141.0660
Methylimidazoleacetic acid_3
Methylimidazoleacetic acid
ME112128
75810
C05828
1.49
141.0661
Methyl methanesulfonate
Methyl methanesulfonate
ME112125
4156
C19181
0.68
111.0105
Metipranolol_1
Metipranolol
ME112129
31477
C07915
9.06
310.2020
Metipranolol_2
Metipranolol
ME112130
31477
C07915
8.69
310.2013
MG(16:0/0:0/0:0)[rac]
MG 16:0/0:0/0:0
ME112131
-
-
14.45
331.2849
Myriocin
Myriocin
ME112132
6438394
C19914
9.42
402.2862
N1-Methyl-2-pyridone-5-carboxamide_1
N1-Methyl-2-pyridone-5-carboxamide
ME112138
69698
C05842
5.13
153.0660
N1-Methyl-2-pyridone-5-carboxamide_2
N1-Methyl-2-pyridone-5-carboxamide
ME112139
69698
C05842
2.53
153.0639
N-(3,4-Dichlorophenyl)-malonamate
-
ME112133
176947
C04205
1.96
247.9859
N5-Phenyl-L-glutamine_1
-
ME112140
18603770
C20843
5.26
223.1063
N5-Phenyl-L-glutamine_2
-
ME112141
18603770
C20843
6.14
223.1079
N6-Acetyl-N6-hydroxy-L-lysine
N(6)-Acetyl-N(6)-hydroxy-lysine
ME112144
128888
C03955
6.27
205.1176
N6-(delta2-Isopentenyl)-adenine_1
N6-Isopentenyladenine
ME112142
92180
C04083
4.76
204.1234
N6-(delta2-Isopentenyl)-adenine_2
N6-Isopentenyladenine
ME112143
92180
C04083
4.16
204.1235
N(6)-[(Indol-3-yl)acetyl]-L-lysine
N(6)-[(Indol-3-yl)acetyl]-lysine
ME112134
161240
C04211
7.09
304.1667
N6-Methyl-L-lysine
N(6)-Methyllysine
ME112145
164795
C02728
0.81
161.1285
N-Acetyl-D-fucosamine
N-Acetyl-D-fucosamine
ME112146
11954186
C15480
6.27
206.1007
N-Acetyl-D-tryptophan
N-Acetyl-D-tryptophan
ME112147
439917
C03137
7.83
247.1084
N-Acetyl-L-glutamate 5-semialdehyde
N-Acetyl-glutamate 5-semialdehyde
ME112148
192878
C01250
1.24
174.0759
N-Acetyl-L-histidine
N-Acetylhistidine
ME112149
75619
C02997
1.21
198.0879
N-Acetyl-L-leucine_1
N-Acetylleucine
ME112150
75619
C02710
6.91
174.1130
N-Acetyl-L-leucine_2
N-Acetylleucine
ME112151
75619
C02710
7.13
174.1130
N-Acetyl-L-leucine_3
N-Acetylleucine
ME112152
75619
C02710
5.16
174.1127
N-Acetyl-L-leucine_4
N-Acetylleucine
ME112153
75619
C02710
2.88
174.1129
N-Acetyl-L-leucine_5
N-Acetylleucine
ME112154
75619
C02710
3.46
174.1127
N-Acetyl-L-leucine_6
N-Acetylleucine
ME112155
75619
C02710
1.95
174.1128
N-Acetyl-L-phenylalanine
N-Acetylphenylalanine
ME112156
74839
C03519
7.47
208.0966
N-Acetylmethionine
N-Acetylmethionine
ME112157
448580
C02712
6.07
192.0690
N-Acetylornithine_1
N-Acetylornithine
ME112158
439232
C00437
2.87
175.1078
N-Acetylornithine_2
N-Acetylornithine
ME112159
439232
C00437
1.09
175.1077
N-Amidino-L-glutamate_1
alpha-Guanidinoglutaric acid
ME112160
135313
C03140
1.97
190.0822
N-Amidino-L-glutamate_2
alpha-Guanidinoglutaric acid
ME112161
135313
C03140
6.26
190.0835
N-Carbamoylputrescine_1
N-Carbamoylputrescine
ME112162
502
C00436
2.71
132.1127
N-Carbamoylputrescine_2
N-Carbamoylputrescine
ME112163
502
C00436
2.60
132.1128
N-Cyclohexylformamide
N-Cyclohexylformamide
ME112164
13017
C11519
5.43
128.1075
N-Cyclopropylammeline
-
ME112165
6321196
C14148
7.43
168.0866
N-Dimethyl-2-aminoethylphosphonate_1
2-Dimethylaminoethylphosphonic acid
ME112166
97588
C05680
1.75
154.0615
N-Dimethyl-2-aminoethylphosphonate_2
2-Dimethylaminoethylphosphonic acid
ME112167
97588
C05680
5.55
154.0614
N-Ethylglycocyamine
N-Ethylglycocyamine
ME112168
439826
C02852
6.26
208.1161
N-Formimino-L-glutamate
Formiminoglutamic acid
ME112169
439233
C00439
1.08
175.0714
N-Formyl-4-amino-5-aminomethyl-2-methylpyrimidine
-
ME112170
597195
C19872
1.79
167.0931
N-Hydroxy-L-valine
N-Hydroxy-valine
ME112171
22859864
C20313
1.01
134.0812
Nicotianamine
(R,S,S)-Nicotianamine
ME112172
9882882
C05324
11.85
304.1495
Nicotinamide
Niacinamide
ME112173
936
C00153
1.78
123.0557
Nicotinate
Nicotinic acid
ME112174
938
C00253
1.54
124.0401
Nitrilacarb
-
ME112175
9570637
C18954
0.87
198.1236
N-linoleoyl taurine
N-Linoleoyl taurine
ME112176
52922081
-
6.37
388.2529
N-Methylhistamine
1-Methylhistamine
ME112177
-
C05127
0.81
126.1028
N-Methylpelletierine
Methylisopelletierine
ME112178
86786
C06184
5.31
156.1386
N-Monomethyl-2-aminoethylphosphonate
-
ME112179
281241
C05679
2.08
140.0472
N,N'-Diethylthiourea
-
ME112136
2735009
C19400
1.01
133.0800
N,N'-Diphenyl-p-phenylenediamine
-
ME112137
6319
C14501
13.02
261.1383
N-oleoyl glutamic acid_1
N-Oleoyl glutamic acid
ME112180
6913738
-
9.35
412.3049
N-oleoyl glutamic acid_2
N-Oleoyl glutamic acid
ME112181
6913738
-
11.60
412.3076
Nona-2,6-dienal_1
-
ME112182
643731
C08499
9.37
139.1118
Nona-2,6-dienal_2
-
ME112183
643731
C08499
8.88
139.1118
Nona-2,6-dienal_3
-
ME112184
643731
C08499
14.67
139.1118
Nordazepam
Nordazepam
ME112185
2997
C07486
4.39
271.0652
N-palmitoyl serine
N-Palmitoyl serine
ME112186
6453686
-
11.33
344.2789
N(pi)-Methyl-L-histidine
3-Methylhistidine
ME112135
64969
C01152
0.81
170.0926
N-stearoyl serine
N-Stearoyl serine
ME112187
6453688
-
12.52
372.3118
N-stearoyl tyrosine
N-Stearoyl tyrosine
ME112188
6710116
-
13.03
448.3431
Oblongolide_1
Oblongolide
ME112189
176630
C09519
13.08
221.1534
Oblongolide_2
Oblongolide
ME112190
176630
C09519
14.38
221.1536
Oblongolide_3
Oblongolide
ME112191
176630
C09519
14.77
221.1531
O-Butanoylcarnitine
CAR 4:0
ME112192
213144
C02862
6.11
232.1551
Octanoic acid
Caprylic acid
ME112193
379
C06423
7.22
145.1226
Octylamine
Octylamine
ME112194
8143
C01740
6.50
130.1592
O-Decanoyl-L-carnitine
CAR 10:0
ME112195
11953821
C03299
10.20
316.2481
O-hexanoyl-R-carnitine
CAR 6:0
ME112196
3246938
-
7.61
260.1864
O-Methylptelefolonium
O-Methylptelefolonium
ME112197
148759
C10732
12.42
317.1606
O-Propanoylcarnitine
CAR 3:0
ME112198
188824
C03017
5.50
218.1392
Otonecine_1
Otonecine
ME112199
5281740
C10356
1.73
186.1124
Otonecine_2
Otonecine
ME112200
5281740
C10356
3.57
186.1128
Otonecine_3
Otonecine
ME112201
5281740
C10356
1.84
186.1127
Otonecine_4
Otonecine
ME112202
5281740
C10356
3.76
186.1124
Otonecine_5
Otonecine
ME112203
5281740
C10356
7.07
186.1126
PA(15:1(9Z)/0:0)
PA 15:1(9Z)/0:0*
ME112204
-
-
16.23
395.2194
PA(17:2(9Z,12Z)/0:0)
PA 17:2(9Z,12Z)/0:0*
ME112205
-
-
12.25
421.2332
Paederoside
Paederoside
ME112206
442432
C09795
7.83
447.0939
Pantetheine
Pantetheine
ME112207
479
C00831
11.74
279.1382
Pantothenate
Pantothenic acid
ME112208
988
C00864
6.72
220.1163
p-Benzoquinone_1
Quinone
ME112209
4650
C00472
1.35
109.0292
p-Benzoquinone_2
Quinone
ME112210
4650
C00472
1.97
109.0291
PC(13:0/0:0)
LPC 13:0/0:0
ME112211
-
-
12.14
454.2940
PC(15:0/0:0)_1
LPC 15:0/0:0
ME112212
-
-
13.21
482.3244
PC(15:0/0:0)_2
LPC 15:0/0:0
ME112213
-
-
11.85
482.3248
PC(15:1(9Z)/0:0)
PC 15:1(9Z)/0:0
ME112214
-
-
12.34
480.3091
PC(16:0/0:0)
LPC 16:0/0:0
ME112215
460602
C04230
12.43
496.3383
PC(16:1(9E)/0:0)
PC 16:1(9E)/0:0*
ME112216
-
-
11.59
494.3247
PC(18:0/0:0)
LPC 18:0/0:0
ME112217
-
-
13.66
524.3694
PC(18:2(2E,4E)/0:0)
PC 18:2(2E,4E)/0:0*
ME112218
-
-
11.92
520.3377
PC(18:3(9Z,12Z,15Z)/0:0)_1
PC 18:3(9Z,12Z,15Z)/0:0*
ME112219
-
-
11.47
518.3237
PC(18:3(9Z,12Z,15Z)/0:0)_2
PC 18:3(9Z,12Z,15Z)/0:0*
ME112220
-
-
14.62
518.3229
PC(20:3(8Z,11Z,14Z)/0:0)
PC 20:3(8Z,11Z,14Z)/0:0*
ME112221
-
-
12.28
546.3566
PC(20:4(5Z,8Z,11Z,14Z)/0:0)
PC 20:4(5Z,8Z,11Z,14Z)/0:0*
ME112222
-
-
11.88
544.3410
PC(20:5(5Z,8Z,11Z,14Z,17Z)/0:0)
PC 20:5(5Z,8Z,11Z,14Z,17Z)/0:0*
ME112223
-
-
11.42
542.3232
PC(22:4(7Z,10Z,13Z,16Z)/0:0)
PC 22:4(7Z,10Z,13Z,16Z)/0:0*
ME112224
-
-
12.66
572.3692
PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)
PC 22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0*
ME112225
-
-
11.86
568.3379
PC(O-1:0/16:0)
PC O-1:0/16:0
ME112226
-
-
13.00
510.3567
PC(O-16:0/3:0)
PC O-16:0/3:0
ME112227
-
-
14.44
538.3853
PC(O-16:1(11Z)/2:0)
PC O-16:1(11Z)/2:0
ME112228
-
-
12.60
522.3570
PC(O-18:1(10E)/2:0)
PC O-18:1(10E)/2:0*
ME112229
-
-
13.76
550.3867
PC(O-18:2(9Z,12Z)/2:0)
PC O-18:2(9Z,12Z)/2:0*
ME112230
-
-
12.90
548.3712
PE(18:2(9Z,12Z)/0:0)
PE 18:2(9Z,12Z)/0:0*
ME112231
-
-
11.72
478.2929
PE(20:3(8Z,11Z,14Z)/0:0)
PE 20:3(8Z,11Z,14Z)/0:0*
ME112232
-
-
12.08
504.3092
PE(22:4(7Z,10Z,13Z,16Z)/0:0)
PE 22:4(7Z,10Z,13Z,16Z)/0:0*
ME112233
-
-
12.42
530.3244
PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)
PE 22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0*
ME112234
-
-
11.71
526.2937
Peganine_1
-
ME112235
72610
C10733
11.20
189.1036
Peganine_2
-
ME112236
72610
C10733
5.59
189.1026
Pentachloroethane
-
ME112237
6419
C19496
0.81
200.8596
Pentadecanoyl-EA_1
Pentadecanoyl-EA
ME112238
14455157
-
11.49
286.2744
Pentadecanoyl-EA_2
Pentadecanoyl-EA
ME112239
14455157
-
12.85
286.2743
PGH2-EA_1
PGH2-EA
ME112240
53477457
-
11.74
394.2953
PGH2-EA_2
PGH2-EA
ME112241
53477457
-
11.55
394.2940
Phenacetin
Phenacetin
ME112242
4754
C07591
5.08
180.1023
Phendimetrazine_1
Phendimetrazine
ME112243
30487
C07904
9.77
192.1386
Phendimetrazine_2
Phendimetrazine
ME112244
30487
C07904
6.01
192.1383
Phenmetrazine
Phenmetrazine
ME112245
4762
C07432
5.71
178.1230
Phensuximide_1
Phensuximide
ME112246
6839
C07437
9.16
190.0867
Phensuximide_2
Phensuximide
ME112247
6839
C07437
9.67
190.0869
Phensuximide_3
Phensuximide
ME112248
6839
C07437
5.40
190.0864
Phenylethyl alcohol_1
2-Phenylethanol
ME112249
6054
C05853
9.22
123.0810
Phenylethyl alcohol_2
2-Phenylethanol
ME112250
6054
C05853
5.27
123.0810
Phosphodimethylethanolamine
N,N-Dimethylethanolamine phosphate
ME112251
151438
C13482
11.59
170.0560
Phthalate
Phthalic acid
ME112252
1017
C01606
1.97
167.0338
Phytuberin
Phytuberin
ME112253
442387
C09709
11.35
295.1905
Pimelate
Pimelic acid
ME112254
385
C02656
5.60
161.0797
Pirbuterol
Pirbuterol
ME112255
4845
C07807
5.24
241.1555
Precocene II
Precocene II
ME112256
12565
C09018
12.71
221.1168
Pregnenolone acetate_1
-
ME112257
2723722
C14658
8.92
359.2581
Pregnenolone acetate_2
-
ME112258
2723722
C14658
9.14
359.2585
Prinomide
Prinomide
ME112259
60352
C10958
11.36
268.1095
Proclavaminic acid
Proclavaminic acid
ME112260
194953
C06658
1.62
203.1025
Promegestone_1
Promegestone
ME112261
36709
C14208
12.44
327.2316
Promegestone_2
Promegestone
ME112262
36709
C14208
13.82
327.2305
Prostaglandin H2_1
PGH2
ME112263
445049
C00427
9.22
353.2305
Prostaglandin H2_2
PGH2
ME112264
445049
C00427
8.56
353.2327
Pseudopelletierine
psi-Pelletierine
ME112267
11096
C10865
6.38
154.1230
PS(O-18:0/0:0)_1
PS O-18:0/0:0
ME112265
-
-
11.46
512.3371
PS(O-18:0/0:0)_2
PS O-18:0/0:0
ME112266
-
-
9.73
512.3365
Pulcherriminic acid
Pulcherriminic acid
ME112268
3083664
C20515
0.89
257.1478
Pyridoxal_1
Pyridoxal
ME112269
1050
C00250
8.93
168.0656
Pyridoxal_2
Pyridoxal
ME112270
1050
C00250
0.86
168.0655
Pyridoxal_3
Pyridoxal
ME112271
1050
C00250
2.01
168.0655
Pyridoxamine
Pyridoxamine
ME112272
1052
C00534
5.39
169.0952
Quassin
Quassin
ME112273
65571
C08778
15.32
389.1977
Quinoxaline-2-carboxylic acid
-
ME112274
96695
C18624
5.08
175.0482
(R)-3-((R)-3-Hydroxybutanoyloxy)butanoate
-
ME111661
5459971
C04546
6.26
191.0899
Rehmaionoside C
-
ME112275
11740990
C17452
7.46
389.2165
Retinal
Retinal
ME112276
638015
C00376
13.43
285.2208
Retinoate_1
Retinoic acid
ME112277
444795
C00777
12.04
301.2157
Retinoate_2
Retinoic acid
ME112278
444795
C00777
10.02
301.2171
Riboflavin
Riboflavin
ME112279
493570
C00255
6.62
377.1451
(S)-2,3,4,5-Tetrahydropyridine-2-carboxylate_1
(S)-1-Piperideine-6-carboxylic acid
ME111662
24771808
C00450
1.00
128.0710
(S)-2,3,4,5-Tetrahydropyridine-2-carboxylate_2
(S)-1-Piperideine-6-carboxylic acid
ME111663
24771808
C00450
2.23
128.0711
(S)-2-Hydroxypropylphosphonate
-
ME111664
25244355
C06452
1.34
141.0310
Saccharin sodium anhydrous
-
ME112280
656582
C12284
1.34
205.9874
S-Acetylthioethanolamine
-
ME112281
28643
C03537
5.39
120.0473
S-Allyl-L-cysteine
S-Allylcysteine
ME112282
9793905
C16759
3.12
162.0584
Sannamycin A_1
-
ME112283
156086
C17710
9.47
390.2708
Sannamycin A_2
-
ME112284
156086
C17710
10.06
390.2713
sarmentogenin
-
ME112285
6437
-
10.03
389.2677
(S)-ATPA_1
(S)-ATPA
ME111665
447407
C13733
5.88
229.1179
(S)-ATPA_2
(S)-ATPA
ME111666
447407
C13733
1.66
229.1183
Schizandrin C
-
ME112286
443027
C10893
14.19
385.1665
Serotonin
Serotonin
ME112287
5202
C00780
5.60
177.1025
(S)-Malate
Malic acid
ME111667
222656
C00149
2.34
135.0305
Sodium chlorate
-
ME112288
516902
C18765
0.76
106.9512
Spermidine
Spermidine
ME112289
1102
C00315
0.67
146.1655
Spermine
Spermine
ME112290
1103
C00750
0.70
203.2233
Sphinganine
Sphinganine
ME112291
91486
C00836
12.37
302.3044
Sphingosine_1
Sphingosine
ME112292
5280335
C00319
12.06
300.2900
Sphingosine 1-phosphate
Sphingosine 1-phosphate
ME112294
5283560
C06124
11.14
380.2562
Sphingosine_2
Sphingosine
ME112293
5280335
C00319
13.73
300.2899
SR95531
-
ME112295
107896
C13796
11.94
288.1346
Stearoylcarnitine_1
CAR 18:0
ME112296
52922056
-
14.05
428.3731
Stearoylcarnitine_2
CAR 18:0
ME112297
52922056
-
15.61
428.3744
Streptobiosamine
Streptobiosamine
ME112298
20056682
C07655
8.07
338.1450
Succinate_1
Succinic acid
ME112299
1110
C00042
0.90
119.0343
Succinate_2
Succinic acid
ME112300
1110
C00042
2.38
119.0345
Succinic anhydride_1
Succinic anhydride
ME112301
7922
C19524
0.90
101.0238
Succinic anhydride_2
Succinic anhydride
ME112302
7922
C19524
2.38
101.0240
Sulcatone
Sulcatone
ME112303
9862
C07287
7.22
127.1121
Sulfoglycolithocholic acid
Sulfoglycolithocholic acid
ME112304
72222
-
9.15
514.2836
Taurine_1
Taurine
ME112305
1123
C00245
0.82
126.0222
Taurine_2
Taurine
ME112306
1123
C00245
8.99
126.0218
Taurocholate_1
Taurocholic acid
ME112307
6675
C05122
8.92
516.2977
Taurocholate_2
Taurocholic acid
ME112308
6675
C05122
9.90
516.2977
Taurodeoxycholate_1
Taurodeoxycholic acid
ME112309
2733768
C05463
11.50
500.3052
Taurodeoxycholate_2
Taurodeoxycholic acid
ME112310
2733768
C05463
12.90
500.3055
Taxa-4(20),11(12)-dien-5alpha-yl acetate_1
-
ME112311
443486
C11896
14.51
331.2629
Taxa-4(20),11(12)-dien-5alpha-yl acetate_2
-
ME112312
443486
C11896
14.78
331.2628
Taxa-4(20),11(12)-dien-5alpha-yl acetate_3
-
ME112313
443486
C11896
13.06
331.2630
Terbufos
Terbufos
ME112314
25670
C18693
6.27
289.0497
Tetrahydropteridine
Tetrahydropteridine
ME112315
156
C05650
0.96
137.0810
Tetralin_1
Tetralin
ME112316
8404
C14114
2.72
133.0997
Tetralin_2
Tetralin
ME112317
8404
C14114
2.41
133.0998
Thiomorpholine 3-carboxylate
Thiomorpholine-3-carboxylic acid
ME112318
440159
C03901
1.48
148.0432
THTA
2-Tetrahydrothiopheneacetic acid
ME112319
443065
C11072
4.95
147.0478
THTC
Tetrahydrothiophene-2-carboxylic acid
ME112320
443066
C11074
2.29
133.0338
Thymine_1
Thymine
ME112321
1135
C00178
3.40
127.0505
Thymine_2
Thymine
ME112322
1135
C00178
5.46
127.0505
Timolol
Timolol
ME112323
33624
C07141
8.11
317.1633
Tolmetin
Tolmetin
ME112324
5509
C07149
0.87
258.1106
Tolmetin sodium
-
ME112325
23665411
C02328
0.86
280.0929
Tolylacetonitrile
-
ME112326
-
C02596
6.26
132.0815
Toxyl angelate_1
Toxyl angelate
ME112327
11953921
C08981
12.29
301.1432
Toxyl angelate_2
Toxyl angelate
ME112328
11953921
C08981
8.93
301.1438
trans-3,4-Dihydro-3,4-dihydroxy-7,12-dimethylbenz[...
-
ME112329
-
C19490
11.73
291.1364
trans-Cinnamate_1
trans-Cinnamic acid
ME112330
444539
C00423
8.45
149.0599
trans-Cinnamate_2
trans-Cinnamic acid
ME112331
444539
C00423
12.10
149.0598
Tridecanamide
Tridecanamide
ME112332
4167542
-
11.82
214.2167
Tris(butoxyethyl)phosphate
-
ME112333
6540
C14446
12.25
399.2493
Trp-P-1_1
-
ME112334
5284474
C19306
12.52
212.1199
Trp-P-1_2
-
ME112335
5284474
C19306
7.29
212.1183
Tyramine_1
Tyramine
ME112336
5610
C00483
5.91
138.0918
Tyramine_2
Tyramine
ME112337
5610
C00483
5.59
138.0917
Uracil_1
Uracil
ME112338
1174
C00106
4.39
113.0351
Uracil_2
Uracil
ME112339
1174
C00106
1.53
113.0350
Uracil_3
Uracil
ME112340
1174
C00106
2.88
113.0350
Urate
Uric acid
ME112341
1175
C00366
1.93
169.0358
Uridine_1
Uridine
ME112342
6029
C00299
2.88
245.0769
Uridine_2
Uridine
ME112343
6029
C00299
1.59
245.0772
Urocanate_1
Urocanic acid
ME112344
1549103
C00785
1.74
139.0504
Urocanate_2
Urocanic acid
ME112345
1549103
C00785
7.43
139.0519
Urocanate_3
Urocanic acid
ME112346
1549103
C00785
2.07
139.0503
Urocanate_4
Urocanic acid
ME112347
1549103
C00785
2.95
139.0504
Virol B
-
ME112348
10753985
C19994
11.45
263.2006
Vomitoxin
Vomitoxin
ME112349
442408
C09747
9.16
297.1326
Wyerone
Wyerone
ME112351
643733
C08465
8.60
259.0968
Xanomeline
Xanomeline
ME112352
60809
C11767
13.66
282.1630
Xestoaminol C_1
Xestoaminol C
ME112353
14756407
-
11.38
230.2476
Xestoaminol C_2
Xestoaminol C
ME112354
14756407
-
10.65
230.2477
Xylobiose
Xylobiose
ME112355
-
C01630
11.02
283.1010
Zearalenone
Zearalenone
ME112356
5281576
C09981
8.85
319.1550
Zeatin
trans-Zeatin
ME112357
449093
C00371
5.50
220.1179
Zingerone
Zingerone
ME112358
31211
C17497
11.95
195.1021
Zinnimidine_1
Zinnimidine
ME112359
442878
C10626
13.04
262.1430
Zinnimidine_2
Zinnimidine
ME112360
442878
C10626
10.74
262.1436
Analysis: POSITIVE ION MODE/Peak Height
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
10-Desacetyltaxuyunnanin C
-
ME112396
5460449
C15538
9.87
463.2707
11beta,16alpha,17alpha,21-Tetrahydroxy-9alpha-fluo...
-
ME112397
228786
C14664
6.53
437.2353
11H-Benz[bc]aceanthrylene
-
ME112398
164558
C19335
0.84
241.1027
1,2,3-Trihydroxybenzene
1,2,3-Trihydroxybenzene
ME112392
1057
C01108
0.83
127.0394
1,2,6-Hexanetriol
-
ME112393
7823
C20334
5.71
135.1021
1,8-Dinitropyrene_1
-
ME112394
39185
C14423
2.32
293.0540
1,8-Dinitropyrene_2
-
ME112395
39185
C14423
2.22
293.0540
1'-Acetoxyeugenol acetate
1'-Acetoxyeugenol acetate
ME112399
4484222
C10427
7.09
265.1053
1-Aminocyclopropane-1-carboxylate
1-Aminocyclopropanecarboxylic acid
ME112400
535
C01234
1.57
102.0556
1D-1-Guanidino-3-amino-1,3-dideoxy-scyllo-inositol
-
ME112401
25200474
C01298
12.50
221.1249
1-Hydroxy-2-methyl-2-butenyl 4-diphosphate
-
ME112402
5281976
C11811
0.82
263.0088
1-Methyladenosine
1-Methyladenosine
ME112403
27476
C02494
3.63
282.1212
1-O-Hexadecyl-lyso-sn-glycero-3-phosphocholine
-
ME112404
3983
C13903
12.82
482.3593
1-Palmitoylglycerophosphocholine
LPC 16:0/0:0
ME112405
460602
C04102
12.43
497.3455
1-Phenylethylamine
-
ME112406
7408
C02455
5.59
122.0969
1-Pyrroline-2-carboxylate
1-Pyrroline-2-carboxylic acid
ME112407
440046
C03564
1.96
114.0555
(1-Ribosylimidazole)-4-acetate
Imidazoleacetic acid riboside
ME112365
440569
C05131
1.49
259.0922
2,2',3-Trihydroxybiphenyl
-
ME112410
569
C03569
0.81
203.0721
2,2,4-Trimethyl-3-(4-fluorophenyl)-2H-1-benzopyran...
-
ME112411
255266
C15056
8.86
327.1411
2,2-Dimethyl-8-prenylchromene 6-carboxylic acid_1
2,2-Dimethyl-8-prenylchromene 6-carboxylic acid
ME112412
441962
C09003
9.21
273.1494
2,2-Dimethyl-8-prenylchromene 6-carboxylic acid_2
2,2-Dimethyl-8-prenylchromene 6-carboxylic acid
ME112413
441962
C09003
8.75
273.1492
2,3,5-Trihydroxytoluene
2,3,5-Trihydroxytoluene
ME112414
13026
C03338
2.10
141.0545
2,3,6-Trihydroxypyridine
2,3,6-Trihydroxypyridine
ME112415
440020
C03458
1.20
128.0347
2,3-Dimethylmaleate
Dimethyl maleate
ME112416
5459894
C00922
0.83
145.0497
2,3-Diphenyl-3-(2-pyridinyl)acrylonitrile
-
ME112417
3003768
C15084
3.60
283.1224
2-(3'-Methylthio)propylmalic acid
2-(3-Methylthiopropyl)malic acid
ME112408
24883455
C17214
1.67
223.0633
2,4,5-Trichloro-2,5-cyclohexadiene-1-ol
-
ME112418
62
C06598
1.32
198.9461
2,4,6-Trichloro-4'-biphenylol
-
ME112419
105036
C14189
0.96
272.9639
2,4-Bis(acetamido)-2,4,6-trideoxy-beta-L-altropyra...
-
ME112420
56927717
C19972
5.25
247.1286
2,4-Bis(acetamido)-2,4,6-trideoxy-beta-L-altropyra...
-
ME112421
56927717
C19972
2.08
247.1287
2,4-Bis(acetamido)-2,4,6-trideoxy-beta-L-altropyra...
-
ME112422
56927717
C19972
5.67
247.1285
2,4-DP
Dichlorprop
ME112423
8427
C11020
1.33
234.9907
2,5-Dichloro-4-oxohex-2-enedioate
2,5-Dichloro-4-oxohex-2-enedioate
ME112424
11966252
C12835
0.75
226.9514
2,5-Dioxopentanoate
-
ME112425
21872870
C00433
1.67
131.0343
2-(6'-Methylthio)hexylmalic acid
-
ME112409
44237240
C17226
1.46
265.1115
2-Aceto-2-hydroxybutanoate_1
2-Acetolactate
ME112426
21
C00659
6.26
147.0672
2-Aceto-2-hydroxybutanoate_2
2-Acetolactate
ME112427
21
C00659
0.90
147.0656
2-Amino-9,10-epoxy-8-oxodecanoic acid
2-Amino-9,10-epoxy-8-oxodecanoic acid
ME112428
443587
C12027
5.55
216.1229
2-Amino-9H-pyrido[2,3-b]indole
-
ME112429
62805
C19186
3.37
184.0864
2-Aminoadenosine
2-Aminoadenosine
ME112430
72200
C00939
7.16
283.1158
2-Aminomuconate
2-Aminomuconic acid
ME112431
20849110
C02220
6.99
158.0460
2-Chloro-cis,cis-muconate
-
ME112432
9543209
C03572
1.35
176.9961
2-Ethylhexyl phthalate_1
Monoethylhexyl phthalic acid
ME112433
-
C03343
12.11
279.1597
2-Ethylhexyl phthalate_2
Monoethylhexyl phthalic acid
ME112434
-
C03343
8.93
279.1578
2-Ethylhexyl phthalate_3
Monoethylhexyl phthalic acid
ME112435
-
C03343
13.22
279.1597
2-Ethylhexyl phthalate_4
Monoethylhexyl phthalic acid
ME112436
-
C03343
9.66
279.1601
2-Furoate
2-Furoic acid
ME112437
6919
C01546
0.92
113.0238
2-Hydroxycyclohexan-1-one_1
2-Hydroxycyclohexan-1-one
ME112438
10785
C01147
5.70
115.0757
2-Hydroxycyclohexan-1-one_2
2-Hydroxycyclohexan-1-one
ME112439
10785
C01147
6.66
115.0759
2-Hydroxyethylphosphonate
2-Hydroxyethylphosphonic acid
ME112440
89954
C06451
1.26
127.0158
2-Hydroxymethylclavam
-
ME112441
3050259
C17357
0.83
144.0656
2-Methylaminoadenosine_1
-
ME112442
439946
C03218
9.24
297.1318
2-Methylaminoadenosine_2
-
ME112443
439946
C03218
8.70
297.1322
2-Naphthylamine_1
2-Aminonaphthalene
ME112444
7057
C02227
6.26
144.0816
2-Naphthylamine_2
2-Aminonaphthalene
ME112445
7057
C02227
6.72
144.0812
2-Oxoglutaramate
2-Keto-glutaramic acid
ME112446
48
C00940
1.20
146.0449
2-Oxosuberate
-
ME112447
146903
C16589
6.26
189.0742
2-Thiophenesulfonamide
-
ME112448
72881
C14764
0.25
163.9838
3-(2-Hydroxyphenyl)propanoate
3-(2-Hydroxyphenyl)propanoic acid
ME112449
6930705
C01198
11.95
167.0706
3,3'-Dimethylbisphenol A
-
ME112450
6620
C14339
11.09
257.1539
3,4-Dihydroxyphenylethyleneglycol_1
3,4-Dihydroxyphenylglycol
ME112451
91528
C05576
5.51
171.0647
3,4-Dihydroxyphenylethyleneglycol_2
3,4-Dihydroxyphenylglycol
ME112452
91528
C05576
0.81
171.0633
3,4-Dihydroxyphenylethyleneglycol_3
3,4-Dihydroxyphenylglycol
ME112453
91528
C05576
3.03
171.0634
3,4-Methylenedioxymethamphetamine_1
3,4-Methylenedioxymethamphetamine
ME112454
1615
C07577
7.14
194.1159
3,4-Methylenedioxymethamphetamine_2
3,4-Methylenedioxymethamphetamine
ME112455
1615
C07577
5.39
194.1176
3alpha,7alpha-Dihydroxy-12-oxo-5beta-cholanate_1
-
ME112456
439472
C01292
10.02
407.2800
3alpha,7alpha-Dihydroxy-12-oxo-5beta-cholanate_2
-
ME112457
439472
C01292
8.75
407.2800
3alpha,7alpha-Dihydroxy-12-oxo-5beta-cholanate_3
-
ME112458
439472
C01292
9.49
407.2798
(3-Arylcarbonyl)-alanine_1
-
ME112366
412786
C03450
6.99
194.0812
(3-Arylcarbonyl)-alanine_2
-
ME112367
412786
C03450
10.06
194.0814
3-Chloro-4-(dichloromethyl)-5-hydroxy-2(5H)-furano...
-
ME112459
53665
C19205
0.78
216.9224
3-Chloro-D-alanine_1
3-Chloro-D-alanine
ME112460
439771
C02634
0.69
124.0148
3-Chloro-D-alanine_2
3-Chloro-D-alanine
ME112461
439771
C02634
5.01
124.0153
3-Chloro-D-alanine_3
3-Chloro-D-alanine
ME112462
439771
C02634
1.37
124.0153
3-Dehydroecdysone_1
3-Dehydroecdysone
ME112463
5460083
C02513
10.09
463.3040
3-Dehydroecdysone_2
3-Dehydroecdysone
ME112464
5460083
C02513
10.91
463.3042
3-Dehydroshikimate
3-Dehydroshikimate
ME112465
439774
C02637
1.96
173.0437
3-Ethoxyandrosta-3,5-dien-17beta-ol propanoate_1
-
ME112466
251872
C15057
9.84
373.2743
3-Ethoxyandrosta-3,5-dien-17beta-ol propanoate_2
-
ME112467
251872
C15057
9.37
373.2743
3-Hydroxyanthranilate_1
3-Hydroxyanthranilic acid
ME112468
86
C00632
1.51
154.0479
3-Hydroxyanthranilate_2
3-Hydroxyanthranilic acid
ME112469
86
C00632
5.13
154.0502
3-Hydroxy-L-glutamate
3-Hydroxyglutamic acid
ME112470
439897
C03066
3.12
164.0541
3-Ketosphingosine
3-Ketosphingosine
ME112471
9839212
C06121
11.28
298.2737
3-Methyl-2-oxobutanoic acid
Ketoisovaleric acid
ME112472
49
C00141
0.88
117.0552
3-Methyleneoxindole_1
3-Methyleneoxindole
ME112473
150946
C02796
6.29
146.0601
3-Methyleneoxindole_2
3-Methyleneoxindole
ME112474
150946
C02796
7.44
146.0599
3-Methyleneoxindole_3
3-Methyleneoxindole
ME112475
150946
C02796
8.36
146.0600
3-Methylguanine_1
3-Methylguanine
ME112476
76292
C02230
5.40
166.0718
3-Methylguanine_2
3-Methylguanine
ME112477
76292
C02230
2.69
166.0729
3-O-alpha-Mycarosylerythronolide B
3-O-alpha-Mycarosylerythronolide B
ME112478
441108
C06630
11.89
547.3461
3-Sulfocatechol
3-Sulfocatechol
ME112479
9543247
C06336
1.87
191.0000
3-Sulfomuconate
-
ME112480
9543213
C06675
2.31
222.9905
3-Sulfopyruvate
3-Sulfopyruvic acid
ME112481
440717
C05528
1.94
168.9789
3-tert-Butyl-5-methylcatechol_1
3-tert-Butyl-5-methylcatechol
ME112482
66095
C03929
10.06
181.1224
3-tert-Butyl-5-methylcatechol_2
3-tert-Butyl-5-methylcatechol
ME112483
66095
C03929
14.37
181.1224
4-Acetamidobutanoate_1
4-Acetamidobutanoic acid
ME112485
6991994
C02946
4.55
146.0813
4-Acetamidobutanoate_2
4-Acetamidobutanoic acid
ME112486
6991994
C02946
1.20
146.0814
4-Amino-2-hydroxylamino-6-nitrotoluene_1
-
ME112487
9543061
C16403
12.27
184.0733
4-Amino-2-hydroxylamino-6-nitrotoluene_2
-
ME112488
9543061
C16403
11.78
184.0734
4-Amino-5-hydroxymethyl-2-methylpyrimidine
4-Amino-5-hydroxymethyl-2-methylpyrimidine
ME112489
777
C01279
1.43
140.0825
4-Aminobiphenyl
4-Aminobiphenyl
ME112490
7102
C10998
12.26
170.0967
4-Aminobutanoate
gamma-Aminobutyric acid
ME112491
119
C00334
0.88
104.0712
4-Cumylphenol
4-Cumylphenol
ME112492
11742
C14258
12.70
213.1275
4-Dodecylphenol_1
4-Dodecylphenol
ME112493
66030
C14245
14.61
263.2367
4-Dodecylphenol_2
4-Dodecylphenol
ME112494
66030
C14245
13.79
263.2364
4-Fluorocyclohexadiene-cis,cis-1,2-diol_1
-
ME112495
11829464
C16483
5.40
131.0496
4-Fluorocyclohexadiene-cis,cis-1,2-diol_2
-
ME112496
11829464
C16483
8.04
131.0496
4-Guanidinobutanal_1
4-Guanidinobutanal
ME112497
559
C02647
1.73
130.0977
4-Guanidinobutanal_2
4-Guanidinobutanal
ME112498
559
C02647
4.95
130.0978
4-Guanidinobutanoate_1
4-Guanidinobutanoic acid
ME112499
500
C01035
6.71
146.0935
4-Guanidinobutanoate_2
4-Guanidinobutanoic acid
ME112500
500
C01035
1.72
146.0925
4-Hydroxy-3-nitrosobenzamide
4-Hydroxy-3-nitrosobenzamide
ME112501
443631
C12114
2.29
167.0467
4-Hydroxy-4-methylglutamate
(2S,4S)-4-Amino-2-hydroxy-2-methylpentanedioic acid
ME112502
23377630
C06034
1.00
178.0711
4-Hydroxybutanoic acid_1
4-Hydroxybutyric acid
ME112503
10413
C00989
2.29
105.0552
4-Hydroxybutanoic acid_2
4-Hydroxybutyric acid
ME112504
10413
C00989
1.90
105.0551
4-Hydroxyphenylacetate
4-Hydroxyphenyl acetate
ME112505
127
C00642
7.65
153.0551
4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol
4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol
ME112484
104856
C19574
6.26
210.1256
4-Nitrophenol
4-Nitrophenol
ME112506
980
C00870
3.09
140.0347
4-Oxocyclohexanecarboxylate
-
ME112507
192730
C03767
1.49
143.0688
4-Oxoproline_1
4-Oxo-proline
ME112508
107541
C01877
1.96
130.0501
4-Oxoproline_2
4-Oxo-proline
ME112509
107541
C01877
0.81
130.0500
4-Phenethylphenol_1
-
ME112510
80630
C14340
6.54
199.1102
4-Phenethylphenol_2
-
ME112511
80630
C14340
11.66
199.1117
4-Prenylresveratrol
4-Prenylresveratrol
ME112512
5281725
C10285
12.41
297.1485
4-Pyridoxate
4-Pyridoxic acid
ME112513
6723
C00847
5.15
184.0602
4-Vinylcyclohexene
-
ME112514
7499
C19310
7.22
109.1019
(4Z,7Z,10Z,13Z,16Z,19Z)-Docosahexaenoic acid_1
DHA
ME112368
445580
C06429
14.19
329.2475
(4Z,7Z,10Z,13Z,16Z,19Z)-Docosahexaenoic acid_2
DHA
ME112369
445580
C06429
12.79
329.2475
(4Z,7Z,10Z,13Z,16Z,19Z)-Docosahexaenoic acid ethyl...
-
ME112370
9831416
C16185
11.11
357.2805
(4Z,7Z,10Z,13Z,16Z,19Z)-Docosahexaenoic acid ethyl...
-
ME112371
9831416
C16185
9.18
357.2801
(4Z,7Z,10Z,13Z,16Z,19Z)-Docosahexaenoic acid ethyl...
-
ME112372
9831416
C16185
14.91
357.2802
(4Z,7Z,10Z,13Z,16Z,19Z)-Docosahexaenoic acid ethyl...
-
ME112373
9831416
C16185
10.21
357.2780
5-(2-Hydroxyethyl)-4-methylthiazole
5-(2-Hydroxyethyl)-4-methylthiazole
ME112515
1136
C04294
1.47
144.0484
5,6-Dihydrothymine_1
Dihydrothymine
ME112516
93556
C00906
0.99
129.0659
5,6-Dihydrothymine_2
Dihydrothymine
ME112517
93556
C00906
2.50
129.0662
5,6-Dihydrouracil
Dihydrouracil
ME112518
649
C00429
1.34
115.0507
5-Acetamidopentanoate_1
5-Acetamidovaleric acid
ME112519
439903
C03087
2.32
160.0970
5-Acetamidopentanoate_2
5-Acetamidovaleric acid
ME112520
439903
C03087
5.92
160.0971
5-Acetamidopentanoate_3
5-Acetamidovaleric acid
ME112521
439903
C03087
1.30
160.0971
5alpha-Androstan-17beta-ol propionate
-
ME112522
238386
C15373
15.31
333.2789
5-Aminolevulinate_1
5-Amino-levulinic acid
ME112523
137
C00430
0.84
132.0659
5-Aminolevulinate_2
5-Amino-levulinic acid
ME112524
137
C00430
2.10
132.0657
5-exo-Hydroxy-1,2-campholide
5-exo-Hydroxy-1,2-campholide
ME112525
440138
C03843
7.53
185.1155
5-Guanidino-2-oxopentanoate
2-Oxoarginine
ME112526
558
C03771
1.22
174.0876
5-Hydroxyindoleacetate_1
5-Hydroxyindoleacetic acid
ME112527
1826
C05635
6.93
192.0658
5-Hydroxyindoleacetate_2
5-Hydroxyindoleacetic acid
ME112528
1826
C05635
7.09
192.0658
5-Hydroxy-L-tryptophan_1
5-Hydroxy-tryptophan
ME112529
439280
C00643
3.87
221.0920
5-Hydroxy-L-tryptophan_2
5-Hydroxy-tryptophan
ME112530
439280
C00643
2.40
221.0921
5-Hydroxy-L-tryptophan_3
5-Hydroxy-tryptophan
ME112531
439280
C00643
5.57
221.0918
5-Hydroxypentanoate
5-Hydroxyvaleric acid
ME112532
25945
C02804
0.96
119.0706
5-L-Glutamyl-taurine
5-L-Glutamyl-taurine
ME112533
68759
C05844
8.75
255.0655
5-Methylthiopentanaldoxime
5-Methylthiopentanaldoxime
ME112534
25010757
C17245
0.81
148.0808
5-Nitro-ortho-anisidine
2-Methoxy-5-nitroaniline
ME112535
7447
C19469
0.81
169.0588
5-N-Methyloxaluric acid
-
ME112536
443075
C11117
1.18
147.0409
5-O-Methyl-myo-inositol
1D-5-O-Methyl-myo-inositol
ME112537
439990
C03365
6.98
195.0851
5-Sulfosalicylate_1
5-Sulfosalicylic acid
ME112538
7322
C16199
3.93
218.9947
5-Sulfosalicylate_2
5-Sulfosalicylic acid
ME112539
7322
C16199
2.28
218.9955
5-Sulfosalicylate_3
5-Sulfosalicylic acid
ME112540
7322
C16199
4.31
218.9950
5-Ureido-4-imidazole carboxylate_1
-
ME112541
155
C05515
6.67
171.0497
5-Ureido-4-imidazole carboxylate_2
-
ME112542
155
C05515
0.97
171.0515
6,8-Dimethyl-6,7,8,9-tetradehydroergoline
-
ME112543
57339211
C20457
13.80
238.1460
6,8-Dimethyl-6,7-didehydroergoline_1
-
ME112544
57339187
C20409
16.17
240.1621
6,8-Dimethyl-6,7-didehydroergoline_2
-
ME112545
57339187
C20409
15.79
240.1621
(6Z,9Z,12Z)-Octadecatrienoic acid_1
gamma-Linolenic acid
ME112374
5280933
C06426
12.07
279.2321
(6Z,9Z,12Z)-Octadecatrienoic acid_2
gamma-Linolenic acid
ME112375
5280933
C06426
13.95
279.2319
7,8-Diaminononanoate
7,8-Diaminononanoic acid
ME112546
652
C01037
0.82
189.1603
7-Chloroemodin
7-Chloroemodin
ME112547
442729
C10311
6.26
305.0220
8-Deoxylactucin
Deoxylactucin
ME112548
442196
C09392
9.70
261.1102
(8Z,11Z,14Z)-Icosatrienoic acid
Dihomo-gamma-linolenic acid
ME112376
5280581
C03242
14.94
307.2625
9,12,13-TriHOME_1
9,12,13-TriHOME
ME112549
9858729
C14833
10.34
331.2484
9,12,13-TriHOME_2
9,12,13-TriHOME
ME112550
9858729
C14833
9.77
331.2483
(9Z)-Hexadecenoic acid_1
Palmitoleic acid
ME112377
445638
C08362
11.73
255.2323
(9Z)-Hexadecenoic acid_2
Palmitoleic acid
ME112378
445638
C08362
14.38
255.2324
(9Z)-Hexadecenoic acid_3
Palmitoleic acid
ME112379
445638
C08362
12.77
255.2323
(9Z)-Hexadecenoic acid_4
Palmitoleic acid
ME112380
445638
C08362
12.35
255.2322
(9Z)-Octadecenoic acid
Oleic acid
ME112381
445639
C00712
15.75
283.2637
Abacavir
Abacavir
ME112551
441300
C07624
6.42
287.1607
Abietate_1
Abietic acid
ME112552
10569
C06087
12.52
303.2326
Abietate_2
Abietic acid
ME112553
10569
C06087
13.85
303.2309
Acutumidine
Acutumidine
ME112554
442840
C10565
0.86
384.1209
Agroclavine_1
Agroclavine
ME112555
73484
C09023
14.62
239.1538
Agroclavine_2
Agroclavine
ME112556
73484
C09023
14.99
239.1534
Alantolactone_1
Alantolactone
ME112557
72724
C09289
14.18
233.1545
Alantolactone_2
Alantolactone
ME112558
72724
C09289
12.51
233.1535
Albafuran A
-
ME112559
5281297
C08732
8.57
379.1919
Allantoate
Allantoic acid
ME112560
203
C00499
0.74
177.0612
Allantoin
Allantoin
ME112561
204
C01551
0.91
159.0512
Allidochlor
-
ME112562
7157
C19043
11.71
174.0678
alpha-Ergocryptine
-
ME112563
134551
C07545
11.87
576.3194
alpha-Erythroidine
alpha-Erythroidine
ME112564
441076
C06531
11.34
274.1454
alpha-Ethyl-alpha,beta-diphenyl-2-pyridineethanol
-
ME112565
231445
C15028
13.66
304.1714
alpha-Ionone_1
alpha-Ionone
ME112566
5282108
C12286
13.32
193.1588
alpha-Ionone_2
alpha-Ionone
ME112567
5282108
C12286
15.30
193.1586
alpha-Ionone_3
alpha-Ionone
ME112568
5282108
C12286
14.63
193.1588
alpha-Methylstyrene_1
-
ME112569
7407
C14395
9.22
119.0859
alpha-Methylstyrene_2
-
ME112570
7407
C14395
11.36
119.0859
alpha-Oxo-benzeneacetic acid
Phenylglyoxylic acid
ME112571
11915
C02137
6.67
151.0392
alpha-Ribazole
alpha-Ribazole
ME112572
160433
C05775
5.89
279.1335
alpha-Santonin
alpha-Santonin
ME112573
221071
C02206
13.81
247.1318
alpha-Sinensal_1
Sinensal
ME112574
5281534
C09729
12.84
219.1744
alpha-Sinensal_2
Sinensal
ME112575
5281534
C09729
15.92
219.1744
Aminoimidazole ribotide
AIR
ME112576
161500
C03373
0.86
296.0654
Ammeline
Ammeline
ME112577
12583
C08733
5.49
128.0547
Angelicin
Angelicin
ME112578
10658
C09060
3.67
187.0400
(-)-Annonaine
-
ME112361
160597
C09339
1.46
266.1156
Anthocyanin
Anthocyanin
ME112579
145858
C15549
0.68
208.0875
Anthopleurine
-
ME112580
14844435
C16994
5.60
178.1063
Anthranilate
2-Aminobenzoic acid
ME112581
227
C00108
7.39
138.0551
Apigenin
Apigenin
ME112582
5280443
C01477
9.71
271.0608
Arachidonate_1
Arachidonic acid
ME112583
444899
C00219
14.41
305.2468
Arachidonate_2
Arachidonic acid
ME112584
444899
C00219
12.70
305.2467
Arginine
Arginine
ME112585
6322
C00062
0.81
175.1191
Arnebinol
-
ME112586
5281558
C09917
14.19
245.1536
Aromatic aldehyde_1
Benzaldehyde
ME112587
240
C00193
5.40
107.0497
Aromatic aldehyde_2
Benzaldehyde
ME112588
240
C00193
3.37
107.0494
Aspartame_1
Aspartame
ME112589
134601
C11045
6.40
295.1298
Aspartame_2
Aspartame
ME112590
134601
C11045
11.02
295.1271
Bakkenolide A_1
Bakkenolide A
ME112591
442173
C09350
14.38
235.1696
Bakkenolide A_2
Bakkenolide A
ME112592
442173
C09350
13.39
235.1693
Bakkenolide A_3
Bakkenolide A
ME112593
442173
C09350
12.73
235.1698
Beclomethasone
Beclomethasone
ME112594
20469
C06842
11.21
409.1768
Bentazone-sodium
-
ME112595
13124860
C18594
6.86
263.0460
Benz[a]acridine_1
-
ME112596
9180
C19337
1.22
230.0956
Benz[a]acridine_2
-
ME112597
9180
C19337
14.36
230.0971
Benz[a]acridine_3
-
ME112598
9180
C19337
9.34
230.0960
Benzimidazole
1H-Benzimidazole
ME112599
5798
C02009
0.88
119.0589
Benzoate
Benzoic acid
ME112600
243
C00180
3.37
123.0444
Benzofuran
Benzofuran
ME112601
9223
C14512
5.68
119.0494
Benzotrichloride
-
ME112602
7367
C19166
2.30
194.9510
Benzoyl phosphate
Benzoyl phosphate
ME112603
151426
C06206
2.29
203.0119
Benzyl 2-methyl-3-oxobutanoate
Benzyl 2-methyl-3-oxobutanoate
ME112604
440192
C04000
6.27
207.1022
Benzyl nicotinate
Benzyl nicotinate
ME112605
7191
C12865
7.45
214.0855
beta-Carboline
beta-Carboline
ME112606
64961
C20157
7.03
169.0764
Betamethasone
Betamethasone
ME112607
9782
C06848
6.37
393.2088
Biochanin A
Biochanin A
ME112608
5280373
C00814
8.83
285.0769
Biotin
Biotin
ME112609
171548
C00120
1.74
245.0965
Biotin sulfoxide
Biotin sulfoxide
ME112610
83833
C20386
0.81
261.0885
Bis(chloromethyl) ether
-
ME112611
10967
C19158
0.14
114.9725
Bixin
Bixin
ME112612
6376436
C08582
15.64
395.2208
(+)-Bornane-2,5-dione_1
Bornane-2,5-dione
ME112362
20218
C03037
6.83
167.1067
(+)-Bornane-2,5-dione_2
Bornane-2,5-dione
ME112363
20218
C03037
12.48
167.1070
(+)-Bornane-2,5-dione_3
Bornane-2,5-dione
ME112364
20218
C03037
14.40
167.1067
Botrydial_1
Botrydial
ME112613
185781
C09622
10.79
311.1847
Botrydial_2
Botrydial
ME112614
185781
C09622
10.99
311.1844
Buclizine
Buclizine
ME112615
6729
C07777
11.37
433.2410
Bufadienolide_1
-
ME112616
-
C16921
9.88
355.2621
Bufadienolide_2
-
ME112617
-
C16921
9.48
355.2651
Buprenorphine_1
Buprenorphine
ME112618
644073
C08007
11.31
468.3105
Buprenorphine_2
Buprenorphine
ME112619
644073
C08007
13.34
468.3108
Buprenorphine_3
Buprenorphine
ME112620
644073
C08007
12.69
468.3094
Butabarbital_1
Butabarbital
ME112621
2479
C07827
5.13
213.1235
Butabarbital_2
Butabarbital
ME112622
2479
C07827
7.29
213.1216
Butabarbital_3
Butabarbital
ME112623
2479
C07827
12.52
213.1232
Calcidiol
25-Hydroxyvitamin D3
ME112624
5283731
C01561
16.38
401.3432
Calcium glycerophosphate
-
ME112625
-
C12935
0.86
210.9680
Calcium salicylate
-
ME112626
517068
C19600
1.35
315.0181
Calystegin B2
Calystegin B2
ME112627
443000
C10851
2.85
176.0923
Capillanol
-
ME112628
5315669
C17783
10.18
175.1118
CCCP
CCCP
ME112629
2603
C11164
1.35
205.0289
Cilastatin
Cilastatin
ME112630
6435415
C01675
14.78
359.1644
Cinnamaldehyde_1
Cinnamaldehyde
ME112631
637511
C00903
9.81
133.0650
Cinnamaldehyde_2
Cinnamaldehyde
ME112632
637511
C00903
7.23
133.0649
Cinnamaldehyde_3
Cinnamaldehyde
ME112633
637511
C00903
2.67
133.0658
cis-2,3-Dihydro-2,3-dihydroxybiphenyl_1
(1S,2R)-3-Phenylcyclohexa-3,5-diene-1,2-diol
ME112634
5459789
C06589
10.19
189.0914
cis-2,3-Dihydro-2,3-dihydroxybiphenyl_2
(1S,2R)-3-Phenylcyclohexa-3,5-diene-1,2-diol
ME112635
5459789
C06589
10.29
189.0916
Clopyralid
Clopyralid
ME112636
15553
C18779
0.93
191.9624
Corticosterone_1
Corticosterone
ME112637
5753
C02140
9.39
347.2232
Corticosterone_2
Corticosterone
ME112638
5753
C02140
9.93
347.2234
Coumarin_1
Coumarin
ME112639
18327169
C05851
6.82
147.0444
Coumarin_2
Coumarin
ME112640
18327169
C05851
7.54
147.0444
Creatine
Creatine
ME112641
586
C00300
1.01
132.0770
Creatine-D3
Creatine
ME112642
-
-
1.01
135.0956
Crotanecine_1
Crotanecine
ME112643
394146
C10284
1.93
172.0970
Crotanecine_2
Crotanecine
ME112644
394146
C10284
4.55
172.0968
Cryptopleurine
-
ME112645
92765
C10586
15.97
378.2082
Cucurbic acid_1
Cucurbic acid
ME112646
5281159
C08482
13.54
213.1468
Cucurbic acid_2
Cucurbic acid
ME112647
5281159
C08482
9.09
213.1474
Cyclohexane-1,3-dione_1
Cyclohexane-1,3-dione
ME112648
10434
C01066
2.42
113.0601
Cyclohexane-1,3-dione_2
Cyclohexane-1,3-dione
ME112649
10434
C01066
10.52
113.0602
Cyclohexane-1,3-dione_3
Cyclohexane-1,3-dione
ME112650
10434
C01066
3.43
113.0602
Cyclohexylsulfamate
Cyclamic acid
ME112651
7533
C02824
6.54
180.0703
Cytidine
Cytidine
ME112652
6175
C00475
1.74
244.0927
Cytosine_1
Cytosine
ME112653
597
C00380
5.07
112.0510
Cytosine_2
Cytosine
ME112654
597
C00380
1.74
112.0509
Cytosine_3
Cytosine
ME112655
597
C00380
2.29
112.0510
Deazaflavin
-
ME112656
5376058
C01800
1.17
214.0596
Debromoaplysiatoxin
-
ME112657
2967
C05148
8.50
593.3317
Deethylatrazine
6-Chloro-N-(1-methylethyl)-1,3,5-triazine-2,4-diamine
ME112658
22563
C06559
6.26
188.0708
Dehydrospermidine
-
ME112659
23657850
C15853
1.17
144.1478
Deisopropyldeethylatrazine
-
ME112660
18831
C06560
1.33
146.0231
Dethiobiotin_1
Dethiobiotin
ME112661
445027
C01909
5.37
215.1396
Dethiobiotin_2
Dethiobiotin
ME112662
445027
C01909
7.04
215.1389
D-Galactose 6-sulfate
Galactose 6-sulfate
ME112663
439386
C01067
2.35
261.0283
D-Glucarate
Glucaric acid
ME112664
33037
C00818
1.02
211.0440
D-Glucose
Glucose
ME112665
5793
C00031
6.66
181.0691
Diacetylaminoazotoluene
-
ME112666
6751
C17380
12.62
310.1534
Dienestrol
-
ME112667
667476
C08090
12.16
267.1380
Diethylene glycol_1
Diethylene glycol
ME112669
8117
C14689
1.69
107.0710
Diethylene glycol_2
Diethylene glycol
ME112670
8117
C14689
7.53
107.0708
Diethylpropion
Diethylpropion
ME112671
7029
C06954
5.16
206.1522
Diethyl sulfate
-
ME112668
6163
C14706
7.18
155.0365
Difenpiramide_1
-
ME112672
100472
C17720
11.95
289.1347
Difenpiramide_2
-
ME112673
100472
C17720
8.94
289.1347
Dihydro-4,4-dimethyl-2,3-furandione_1
2-Dehydropantolactone
ME112674
39
C01125
3.89
129.0552
Dihydro-4,4-dimethyl-2,3-furandione_2
2-Dehydropantolactone
ME112675
39
C01125
0.94
129.0549
Dihydro-4,4-dimethyl-2,3-furandione_3
2-Dehydropantolactone
ME112676
39
C01125
1.69
129.0527
Dimepiperate_1
-
ME112677
91679
C14571
6.32
264.1421
Dimepiperate_2
-
ME112678
91679
C14571
6.57
264.1425
Dimethisterone
Dimethisterone
ME112679
6607
C07628
9.36
341.2477
Dinitrochlorobenzene_1
-
ME112680
6
C14397
2.36
202.9865
Dinitrochlorobenzene_2
-
ME112681
6
C14397
1.85
202.9853
Diosgenin_1
Diosgenin
ME112682
99474
C08898
11.49
415.3226
Diosgenin_2
Diosgenin
ME112683
99474
C08898
10.13
415.3225
D-Lysopine_1
-
ME112684
193187
C04020
1.34
219.1344
D-Lysopine_2
-
ME112685
193187
C04020
5.56
219.1344
Dobutamine
-
ME112686
36811
C06967
13.65
302.1764
D-Octopine
D-Octopine
ME112687
108172
C04137
2.14
247.1394
Dodecanamide
Dodecanamide
ME112688
14256
C13831
11.21
200.2011
Dodemorph
-
ME112689
61899
C18786
14.55
282.2787
Dopamine
Dopamine
ME112690
681
C03758
4.70
154.0866
D-Ribitol 5-phosphate
D-Ribitol 5-phosphate
ME112691
151104
C01068
1.18
233.0423
D-Ribose
Ribose
ME112692
5779
C00121
1.57
151.0618
(E)-4-(Trimethylammonio)but-2-enoate
(E)-4-(Trimethylammonio)but-2-enoate
ME112382
5462194
C04114
1.17
144.1023
Epothilone C
-
ME112693
9891226
C15694
9.64
478.2614
epsilon-Caprolactam
Epsilon-caprolactam
ME112694
7768
C06593
5.96
114.0917
Ethanolamine phosphate
Phosphoethanolamine
ME112695
1015
C00346
1.03
142.0251
Ethephon
-
ME112696
27982
C18399
0.25
144.9824
Etidronic acid
Etidronic acid
ME112697
3305
C07736
1.87
206.9798
Etodolac
Etodolac
ME112698
3308
C06991
12.41
288.1604
Fagomine_1
Fagomine
ME112699
72259
C10144
1.33
148.0969
Fagomine_2
Fagomine
ME112700
72259
C10144
1.99
148.0968
Felbamate
Felbamate
ME112701
3331
C07501
5.39
239.1029
Fenoprofen
Fenoprofen
ME112702
3342
C06997
8.02
243.1011
Ferimzone
Ferimzone
ME112703
9013425
C18579
10.05
255.1590
Ferricyanide_1
-
ME112704
439210
C00324
2.29
212.9614
Ferricyanide_2
-
ME112705
439210
C00324
1.53
212.9590
Fexaramine
-
ME112706
5326713
C15649
9.24
497.2775
Fexofenadine
Fexofenadine
ME112707
3348
C06999
11.74
502.2950
Fludrocortisone acetate
Fludrocortisone acetate
ME112708
225609
C08186
8.11
423.2168
Furfural diethyl acetal_1
-
ME112709
83553
C14280
6.32
171.0996
Furfural diethyl acetal_2
-
ME112710
83553
C14280
12.26
171.0997
Furfural diethyl acetal_3
-
ME112711
83553
C14280
7.88
171.1017
Fusicoccin H
-
ME112712
5281364
C09093
11.16
483.2967
gamma-Coniceine
gamma-Coniceine
ME112713
442632
C10138
5.43
126.1282
gamma-Glutamyl-gamma-aminobutyraldehyde
gamma-Glutamyl-gamma-aminobutyraldehyde
ME112714
23724544
C15700
2.91
217.1184
gamma-L-Glutamyl-D-alanine
gamma-L-Glutamyl-D-alanine
ME112715
25200557
C03738
1.38
219.0971
gamma-L-Glutamyl-L-cysteinyl-beta-alanine
Homoglutathione
ME112716
7098648
C04544
3.03
322.1065
Glutamine
Glutamine
ME112717
5961
C00064
0.81
147.0765
Glutarate_1
Glutaric acid
ME112718
743
C00489
0.90
133.0498
Glutarate_2
Glutaric acid
ME112719
743
C00489
2.88
133.0497
Glycocholate_1
Glycocholic acid
ME112720
10140
C01921
9.22
466.3173
Glycocholate_2
Glycocholic acid
ME112721
10140
C01921
8.77
466.3167
Glycyl-leucine_1
Gly-Leu
ME112722
92843
C02155
1.36
189.1233
Glycyl-leucine_2
Gly-Leu
ME112723
92843
C02155
5.69
189.1233
Glycyl-leucine_3
Gly-Leu
ME112724
92843
C02155
5.33
189.1235
Glycyl-leucine_4
Gly-Leu
ME112725
92843
C02155
1.48
189.1234
GV 150013X
-
ME112726
5311147
C15096
9.87
535.2710
Gymnodimine
Gymnodimine
ME112727
11649137
C20025
12.09
508.3403
Heteropyrithiamine
1-[(4-Amino-2-methylpyrimidin-5-yl)methyl]pyridinium
ME112728
439786
C02691
7.71
202.1228
Hexadecasphinganine
C16 Sphinganine
ME112729
656816
C13915
10.60
274.2741
Hexylamine
Hexylamine
ME112730
8102
C08306
5.22
102.1283
Himbacine
-
ME112731
6436265
C10598
14.39
346.2742
Hippurate
Hippuric acid
ME112732
464
C01586
6.67
180.0656
Histamine
Histamine
ME112733
774
C00388
0.77
112.0875
Hoechst 33342
-
ME112734
1464
C11189
7.53
453.2414
Homostachydrine
(S)-Homostachydrine
ME112735
441447
C08283
1.91
158.1178
Imazaquin
-
ME112736
54739
C05076
11.88
312.1344
Indole_1
Indole
ME112737
798
C00463
5.40
118.0656
Indole_2
Indole
ME112738
798
C00463
6.27
118.0659
Indole_3
Indole
ME112739
798
C00463
14.39
118.0655
Indole-3-acetaldehyde_1
Indoleacetaldehyde
ME112741
800
C00637
5.60
160.0760
Indole-3-acetaldehyde_2
Indoleacetaldehyde
ME112742
800
C00637
6.27
160.0761
Indole-3-acetate_1
Indoleacetic acid
ME112743
802
C00954
8.47
176.0709
Indole-3-acetate_2
Indoleacetic acid
ME112744
802
C00954
5.58
176.0709
Indole_4
Indole
ME112740
798
C00463
6.67
118.0656
Indoleamine
-
ME112745
230280
C01819
1.01
133.0741
Indolelactate
Indolelactic acid
ME112746
92904
C02043
7.88
206.0813
Indospicine
Indospicine
ME112747
108010
C08288
5.20
174.1238
Inulicin
-
ME112748
442263
C09483
10.88
309.1690
Ipazine
-
ME112749
15950
C19103
9.48
244.1311
Isoquinoline_1
Isoquinoline
ME112750
8405
C06323
7.87
130.0657
Isoquinoline_2
Isoquinoline
ME112751
8405
C06323
9.16
130.0656
Isoquinoline_3
Isoquinoline
ME112752
8405
C06323
6.27
130.0649
Isoquinoline_4
Isoquinoline
ME112753
8405
C06323
5.76
130.0655
Isovalerylcarnitine
CAR 4:0;3Me
ME112754
6426851
C20826
6.75
246.1698
Karwinaphthol B
Karwinaphthol B
ME112755
442522
C09942
12.61
289.1419
Ketoprofen
Ketoprofen
ME112756
3825
C01716
11.02
255.1031
L-2,4-Diaminobutanoate
2,4-Diaminobutyric acid
ME112757
134490
C03283
0.91
119.0834
L-2-Aminoadipate_1
alpha-Aminoadipic acid
ME112758
92136
C00956
1.03
162.0761
L-2-Aminoadipate_2
alpha-Aminoadipic acid
ME112759
92136
C00956
1.91
162.0760
L-Adrenaline_1
Epinephrine
ME112760
5816
C00788
5.93
184.0973
L-Adrenaline_2
Epinephrine
ME112761
5816
C00788
6.72
184.0971
L-Arginine
Arginine
ME112762
6322
C00062
6.95
175.1170
L-Asparagine_1
Asparagine
ME112763
6267
C00152
1.34
133.0611
L-Asparagine_2
Asparagine
ME112764
6267
C00152
0.81
133.0610
L-Aspartate 4-semialdehyde
Aspartate-semialdehyde
ME112765
439235
C00441
1.27
118.0512
Latia luciferin
Latia luciferin
ME112766
5280505
C02293
12.52
237.1848
L-Carnitine
Carnitine
ME112767
288
C00318
1.07
162.1126
L-Citrulline_1
Citrulline
ME112768
9750
C00327
1.30
176.1030
L-Citrulline_2
Citrulline
ME112769
9750
C00327
0.89
176.1030
L-Cysteate_1
Cysteic acid
ME112770
7140381
C00506
1.64
170.0125
L-Cysteate_2
Cysteic acid
ME112771
7140381
C00506
1.38
170.0125
Lemobiline
Lemobiline
ME112772
442917
C10705
10.90
244.1328
Leukotriene A4_1
LTA4
ME112773
5280383
C00909
10.05
319.2261
Leukotriene A4_2
LTA4
ME112774
5280383
C00909
11.75
319.2252
Levetiracetam
Levetiracetam
ME112775
5284583
C07841
5.83
171.1133
L-Glutamate_1
Glutamic acid
ME112776
33032
C00025
6.95
148.0621
L-Glutamate_2
Glutamic acid
ME112777
33032
C00025
0.87
148.0605
L-Glutamate_3
Glutamic acid
ME112778
33032
C00025
1.20
148.0606
L-Histidine
Histidine
ME112779
6274
C00135
0.81
156.0770
L-Homocysteic acid
Homocysteic acid
ME112780
177491
C16511
2.30
184.0285
Lichenin_1
Lichenin
ME112781
439241
C00478
0.85
163.0600
Lichenin_2
Lichenin
ME112782
439241
C00478
3.12
163.0613
L-Iduronate 2-sulfate_1
L-Iduronate 2-sulfate
ME112783
439915
C03126
2.38
275.0066
L-Iduronate 2-sulfate_2
L-Iduronate 2-sulfate
ME112784
439915
C03126
1.36
275.0084
Linoleate_1
Linoleic acid
ME112785
5280450
C01595
14.71
281.2489
Linoleate_2
Linoleic acid
ME112786
5280450
C01595
14.61
281.2473
Linoleate_3
Linoleic acid
ME112787
5280450
C01595
12.29
281.2479
Linoleate_4
Linoleic acid
ME112788
5280450
C01595
11.59
281.2475
L-Kynurenine
Kynurenine
ME112789
161166
C00328
5.48
209.0921
L-Leucine_1
Leucine
ME112790
6106
C00123
2.72
132.1022
L-Leucine_2
Leucine
ME112791
6106
C00123
2.41
132.1022
L-Lysine
Lysine
ME112792
5962
C00047
0.70
147.1129
L-Methionine
Methionine
ME112793
6137
C00073
1.57
150.0585
L-Methionine S-oxide_1
Methionine sulfoxide
ME112794
158980
C02989
8.45
166.0524
L-Methionine S-oxide_2
Methionine sulfoxide
ME112795
158980
C02989
0.89
166.0533
L-Methionine S-oxide_3
Methionine sulfoxide
ME112796
158980
C02989
1.57
166.0536
L-Octanoylcarnitine_1
CAR 8:0
ME112797
11953814
C02838
9.01
288.2168
L-Octanoylcarnitine_2
CAR 8:0
ME112798
11953814
C02838
7.61
288.2187
L-Olivosyl-oleandolide_1
L-Olivosyl-oleandolide
ME112799
443565
C11991
8.97
517.3006
L-Olivosyl-oleandolide_2
L-Olivosyl-oleandolide
ME112800
443565
C11991
9.86
517.3002
L-Olivosyl-oleandolide_3
L-Olivosyl-oleandolide
ME112801
443565
C11991
10.27
517.3010
L-Ornithine
Ornithine
ME112802
6262
C00077
0.70
133.0974
Lovastatin
Lovastatin
ME112803
53232
C07074
9.25
405.2647
L-Palmitoylcarnitine
CAR 16:0
ME112804
11953816
C02990
13.86
400.3417
L-Phenylalanine
Phenylalanine
ME112805
6140
C00079
5.40
166.0866
L-Pipecolate_1
Pipecolic acid
ME112806
439227
C00408
1.30
130.0866
L-Pipecolate_2
Pipecolic acid
ME112807
439227
C00408
3.05
130.0866
L-Rhamnose
Rhamnose
ME112808
25310
C00507
0.95
165.0758
L-Serine_1
Serine
ME112809
5951
C00065
0.81
106.0503
L-Serine_2
Serine
ME112810
5951
C00065
1.18
106.0504
L-Threonine_1
Threonine
ME112811
6288
C00188
1.05
120.0660
L-Threonine_2
Threonine
ME112812
6288
C00188
0.82
120.0660
L-Tryptophan
Tryptophan
ME112813
6305
C00078
6.26
205.0980
L-Valine_1
Valine
ME112814
6287
C00183
1.26
118.0868
L-Valine_2
Valine
ME112815
6287
C00183
0.90
118.0867
Lycodine
Lycodine
ME112816
5462443
C09876
0.94
243.1838
Lythramine_1
Lythramine
ME112817
442864
C10604
8.96
480.2763
Lythramine_2
Lythramine
ME112818
442864
C10604
9.89
480.2766
Maculosin
Cyclo(Pro-Tyr)
ME112819
119404
C10605
6.33
261.1237
Magnoshinin
Magnoshinin
ME112820
135783
C10658
11.38
415.2128
Mandelonitrile
2-Hydroxy-2-phenylacetonitrile
ME112821
10758
C00561
7.42
134.0603
Mannitol
Mannitol
ME112822
6251
C00392
3.37
183.0849
Mansonone C
-
ME112823
21742
C10371
11.79
229.1220
Mebenil
-
ME112824
23466
C18913
1.32
212.1052
Melamine
Melamine
ME112825
7955
C08737
3.27
127.0732
Mercury(2+)
-
ME112826
26623
C00703
0.83
202.9778
Metalaxyl
Metalaxyl
ME112827
42586
C10947
7.19
280.1536
Methohexital
Methohexital
ME112828
9034
C07844
6.70
263.1389
Methomyl
Methomyl
ME112829
5353758
C11196
6.27
163.0522
Methyl 2-diazoacetamidohexonate
Methyl 2-diazoacetamidohexonate
ME112830
439447
C01223
6.40
215.1257
Methyl acetyl ricinoleate
-
ME112831
5282107
C12280
13.78
355.2838
Methyleugenol_1
Methyleugenol
ME112833
7127
C10454
11.20
179.1072
Methyleugenol_2
Methyleugenol
ME112834
7127
C10454
9.91
179.1067
Methylimidazoleacetic acid_1
Methylimidazoleacetic acid
ME112835
75810
C05828
1.62
141.0660
Methylimidazoleacetic acid_2
Methylimidazoleacetic acid
ME112836
75810
C05828
1.48
141.0661
Methyl methanesulfonate
Methyl methanesulfonate
ME112832
4156
C19181
0.68
111.0106
Metipranolol_1
Metipranolol
ME112837
31477
C07915
9.06
310.2006
Metipranolol_2
Metipranolol
ME112838
31477
C07915
8.69
310.2008
Myriocin
Myriocin
ME112839
6438394
C19914
9.42
402.2862
N1-Methyl-2-pyridone-5-carboxamide_1
N1-Methyl-2-pyridone-5-carboxamide
ME112845
69698
C05842
5.13
153.0659
N1-Methyl-2-pyridone-5-carboxamide_2
N1-Methyl-2-pyridone-5-carboxamide
ME112846
69698
C05842
2.53
153.0639
N-(3,4-Dichlorophenyl)-malonamate
-
ME112840
176947
C04205
1.97
247.9858
N5-Phenyl-L-glutamine_1
-
ME112847
18603770
C20843
5.26
223.1061
N5-Phenyl-L-glutamine_2
-
ME112848
18603770
C20843
6.14
223.1080
N6-Acetyl-N6-hydroxy-L-lysine
N(6)-Acetyl-N(6)-hydroxy-lysine
ME112851
128888
C03955
6.27
205.1175
N6-(delta2-Isopentenyl)-adenine_1
N6-Isopentenyladenine
ME112849
92180
C04083
4.77
204.1234
N6-(delta2-Isopentenyl)-adenine_2
N6-Isopentenyladenine
ME112850
92180
C04083
4.11
204.1235
N6-Hydroxy-L-lysine
N(6)-Hydroxy-lysine
ME112852
439370
C01028
1.07
163.1097
N(6)-[(Indol-3-yl)acetyl]-L-lysine
N(6)-[(Indol-3-yl)acetyl]-lysine
ME112841
161240
C04211
7.10
304.1668
N6-Methyl-L-lysine
N(6)-Methyllysine
ME112853
164795
C02728
0.81
161.1285
N-Acetyl-D-fucosamine
N-Acetyl-D-fucosamine
ME112854
11954186
C15480
6.26
206.1006
N-Acetyl-D-tryptophan
N-Acetyl-D-tryptophan
ME112855
439917
C03137
7.83
247.1083
N-Acetyl-L-glutamate 5-semialdehyde
N-Acetyl-glutamate 5-semialdehyde
ME112856
192878
C01250
1.24
174.0759
N-Acetyl-L-histidine
N-Acetylhistidine
ME112857
75619
C02997
1.21
198.0878
N-Acetyl-L-leucine_1
N-Acetylleucine
ME112858
75619
C02710
6.91
174.1130
N-Acetyl-L-leucine_2
N-Acetylleucine
ME112859
75619
C02710
7.16
174.1130
N-Acetyl-L-leucine_3
N-Acetylleucine
ME112860
75619
C02710
5.16
174.1128
N-Acetyl-L-leucine_4
N-Acetylleucine
ME112861
75619
C02710
2.89
174.1129
N-Acetyl-L-leucine_5
N-Acetylleucine
ME112862
75619
C02710
3.47
174.1127
N-Acetyl-L-leucine_6
N-Acetylleucine
ME112863
75619
C02710
1.92
174.1128
N-Acetyl-L-phenylalanine_1
N-Acetylphenylalanine
ME112864
74839
C03519
7.62
208.0971
N-Acetyl-L-phenylalanine_2
N-Acetylphenylalanine
ME112865
74839
C03519
7.46
208.0974
N-Acetylmethionine
N-Acetylmethionine
ME112866
448580
C02712
6.07
192.0689
N-Acetylornithine_1
N-Acetylornithine
ME112867
439232
C00437
1.09
175.1077
N-Acetylornithine_2
N-Acetylornithine
ME112868
439232
C00437
2.87
175.1077
N-Amidino-L-glutamate_1
alpha-Guanidinoglutaric acid
ME112869
135313
C03140
1.97
190.0820
N-Amidino-L-glutamate_2
alpha-Guanidinoglutaric acid
ME112870
135313
C03140
6.26
190.0834
N-Carbamoylputrescine
N-Carbamoylputrescine
ME112871
502
C00436
2.71
132.1126
N-Cyclohexylformamide
N-Cyclohexylformamide
ME112872
13017
C11519
5.38
128.1075
N-Cyclopropylammeline
-
ME112873
6321196
C14148
7.43
168.0866
N-Dimethyl-2-aminoethylphosphonate_1
2-Dimethylaminoethylphosphonic acid
ME112874
97588
C05680
1.76
154.0615
N-Dimethyl-2-aminoethylphosphonate_2
2-Dimethylaminoethylphosphonic acid
ME112875
97588
C05680
5.55
154.0614
N-Ethylglycocyamine
N-Ethylglycocyamine
ME112876
439826
C02852
6.26
208.1161
N-Formyl-4-amino-5-aminomethyl-2-methylpyrimidine
-
ME112877
597195
C19872
1.79
167.0932
N-Hydroxy-L-valine
N-Hydroxy-valine
ME112878
22859864
C20313
1.01
134.0812
Nicotianamine
(R,S,S)-Nicotianamine
ME112879
9882882
C05324
11.85
304.1496
Nicotinamide
Niacinamide
ME112880
936
C00153
1.78
123.0557
Nicotinate
Nicotinic acid
ME112881
938
C00253
1.54
124.0401
Nitrilacarb
-
ME112882
9570637
C18954
0.87
198.1235
N-Methylhistamine
1-Methylhistamine
ME112883
-
C05127
0.81
126.1028
N-Methylpelletierine
Methylisopelletierine
ME112884
86786
C06184
5.31
156.1385
N-Monomethyl-2-aminoethylphosphonate
-
ME112885
281241
C05679
2.08
140.0472
N,N'-Diethylthiourea
-
ME112843
2735009
C19400
1.01
133.0800
N,N'-Diphenyl-p-phenylenediamine
-
ME112844
6319
C14501
13.02
261.1382
Nona-2,6-dienal_1
-
ME112886
643731
C08499
9.37
139.1118
Nona-2,6-dienal_2
-
ME112887
643731
C08499
8.86
139.1118
Nona-2,6-dienal_3
-
ME112888
643731
C08499
14.61
139.1119
Nordazepam
Nordazepam
ME112889
2997
C07486
4.37
271.0652
N(pi)-Methyl-L-histidine
3-Methylhistidine
ME112842
64969
C01152
0.81
170.0925
Oblongolide_1
Oblongolide
ME112890
176630
C09519
14.41
221.1536
Oblongolide_2
Oblongolide
ME112891
176630
C09519
13.08
221.1533
Oblongolide_3
Oblongolide
ME112892
176630
C09519
10.07
221.1535
O-Butanoylcarnitine
CAR 4:0
ME112893
213144
C02862
6.11
232.1550
Octanoic acid
Caprylic acid
ME112894
379
C06423
7.22
145.1226
Octylamine
Octylamine
ME112895
8143
C01740
6.50
130.1591
O-Decanoyl-L-carnitine
CAR 10:0
ME112896
11953821
C03299
10.20
316.2491
O-Methylptelefolonium
O-Methylptelefolonium
ME112897
148759
C10732
12.41
317.1605
O-Propanoylcarnitine
CAR 3:0
ME112898
188824
C03017
5.50
218.1393
Otonecine_1
Otonecine
ME112899
5281740
C10356
1.73
186.1124
Otonecine_2
Otonecine
ME112900
5281740
C10356
3.65
186.1127
Otonecine_3
Otonecine
ME112901
5281740
C10356
7.07
186.1126
Paederoside
Paederoside
ME112902
442432
C09795
7.82
447.0941
Pantetheine
Pantetheine
ME112903
479
C00831
11.73
279.1360
Pantothenate
Pantothenic acid
ME112904
988
C00864
6.71
220.1162
p-Benzoquinone_1
Quinone
ME112905
4650
C00472
1.23
109.0291
p-Benzoquinone_2
Quinone
ME112906
4650
C00472
1.97
109.0291
Peganine_1
-
ME112907
72610
C10733
11.21
189.1036
Peganine_2
-
ME112908
72610
C10733
5.59
189.1025
Pentachloroethane
-
ME112909
6419
C19496
0.81
200.8597
Phenacetin
Phenacetin
ME112910
4754
C07591
5.10
180.1023
Phendimetrazine_1
Phendimetrazine
ME112911
30487
C07904
9.78
192.1385
Phendimetrazine_2
Phendimetrazine
ME112912
30487
C07904
6.01
192.1382
Phenmetrazine
Phenmetrazine
ME112913
4762
C07432
5.71
178.1229
Phensuximide_1
Phensuximide
ME112914
6839
C07437
9.16
190.0867
Phensuximide_2
Phensuximide
ME112915
6839
C07437
9.98
190.0871
Phensuximide_3
Phensuximide
ME112916
6839
C07437
5.40
190.0865
Phenylethyl alcohol_1
2-Phenylethanol
ME112917
6054
C05853
9.20
123.0810
Phenylethyl alcohol_2
2-Phenylethanol
ME112918
6054
C05853
5.27
123.0810
Phosphodimethylethanolamine
N,N-Dimethylethanolamine phosphate
ME112919
151438
C13482
11.59
170.0564
Phthalate
Phthalic acid
ME112920
1017
C01606
1.97
167.0339
Phytuberin_1
Phytuberin
ME112921
442387
C09709
11.35
295.1906
Phytuberin_2
Phytuberin
ME112922
442387
C09709
10.92
295.1900
Pimelate
Pimelic acid
ME112923
385
C02656
5.60
161.0797
Pirbuterol
Pirbuterol
ME112924
4845
C07807
5.24
241.1554
Portulacaxanthin III
Portulacaxanthin III
ME112925
5281214
C08566
1.57
269.0760
Precocene II
Precocene II
ME112926
12565
C09018
12.71
221.1168
Pregnenolone acetate_1
-
ME112927
2723722
C14658
8.93
359.2590
Pregnenolone acetate_2
-
ME112928
2723722
C14658
9.36
359.2585
Prinomide
Prinomide
ME112929
60352
C10958
11.36
268.1095
Proclavaminic acid
Proclavaminic acid
ME112930
194953
C06658
1.62
203.1024
Proline
Proline
ME112931
145742
C00148
0.96
116.0711
Promegestone_1
Promegestone
ME112932
36709
C14208
12.44
327.2308
Promegestone_2
Promegestone
ME112933
36709
C14208
13.84
327.2326
Propofol
Propofol
ME112934
4943
C07523
12.98
179.1431
Prostaglandin B1
PGB1
ME112935
5280388
C00959
10.91
337.2355
Prostaglandin H2_1
PGH2
ME112936
445049
C00427
9.20
353.2307
Prostaglandin H2_2
PGH2
ME112937
445049
C00427
8.55
353.2327
Pseudopelletierine
psi-Pelletierine
ME112938
11096
C10865
6.38
154.1230
Pulcherriminic acid
Pulcherriminic acid
ME112939
3083664
C20515
0.89
257.1478
Pyrene-4,5-dione
-
ME112940
160814
C18251
2.29
233.0592
Pyridoxal_1
Pyridoxal
ME112941
1050
C00250
8.93
168.0656
Pyridoxal_2
Pyridoxal
ME112942
1050
C00250
0.86
168.0655
Pyridoxal_3
Pyridoxal
ME112943
1050
C00250
3.61
168.0636
Pyridoxal_4
Pyridoxal
ME112944
1050
C00250
2.02
168.0655
Pyridoxamine_1
Pyridoxamine
ME112945
1052
C00534
5.40
169.0952
Pyridoxamine_2
Pyridoxamine
ME112946
1052
C00534
5.19
169.0973
Pyrimethanil
-
ME112947
91650
C11180
12.13
200.1192
Quinoxaline-2-carboxylic acid
-
ME112948
96695
C18624
5.10
175.0482
(R)-2,3-Dihydroxypropane-1-sulfonate
(2R)-3-sulfopropanediol
ME112383
49852441
C19675
1.42
157.0173
(R)-3-((R)-3-Hydroxybutanoyloxy)butanoate_1
-
ME112384
5459971
C04546
9.16
191.0901
(R)-3-((R)-3-Hydroxybutanoyloxy)butanoate_2
-
ME112385
5459971
C04546
6.26
191.0899
Rehmaionoside C
-
ME112949
11740990
C17452
7.46
389.2164
Retinal
Retinal
ME112950
638015
C00376
13.42
285.2208
Retinoate_1
Retinoic acid
ME112951
444795
C00777
12.05
301.2159
Retinoate_2
Retinoic acid
ME112952
444795
C00777
10.03
301.2178
Retinoate_3
Retinoic acid
ME112953
444795
C00777
10.17
301.2173
Retinoate_4
Retinoic acid
ME112954
444795
C00777
10.99
301.2175
Retinoate_5
Retinoic acid
ME112955
444795
C00777
11.65
301.2177
Rhodanine
Rhodanine
ME112956
1201546
C07280
5.18
133.9746
Riboflavin
Riboflavin
ME112957
493570
C00255
6.62
377.1451
(S)-2,3,4,5-Tetrahydropyridine-2-carboxylate_1
(S)-1-Piperideine-6-carboxylic acid
ME112386
24771808
C00450
1.00
128.0710
(S)-2,3,4,5-Tetrahydropyridine-2-carboxylate_2
(S)-1-Piperideine-6-carboxylic acid
ME112387
24771808
C00450
2.23
128.0711
(S)-2-Hydroxypropylphosphonate
-
ME112388
25244355
C06452
1.34
141.0310
Saccharin sodium anhydrous
-
ME112958
656582
C12284
1.34
205.9874
S-Allyl-L-cysteine
S-Allylcysteine
ME112959
9793905
C16759
3.12
162.0584
Sannamycin A_1
-
ME112960
156086
C17710
9.47
390.2709
Sannamycin A_2
-
ME112961
156086
C17710
10.01
390.2713
(S)-ATPA_1
(S)-ATPA
ME112389
447407
C13733
5.88
229.1182
(S)-ATPA_2
(S)-ATPA
ME112390
447407
C13733
1.66
229.1183
Schizandrin C
-
ME112962
443027
C10893
14.19
385.1664
Sebacic acid
Sebacic acid
ME112963
5192
C08277
0.84
203.1273
Serotonin
Serotonin
ME112964
5202
C00780
5.60
177.1026
(S)-Malate
Malic acid
ME112391
222656
C00149
2.34
135.0305
S-Methyl-L-methionine
-
ME112965
145692
C03172
12.14
165.0799
Sodium chlorate
-
ME112966
516902
C18765
0.76
106.9511
Spermidine
Spermidine
ME112967
1102
C00315
0.67
146.1655
Spermine
Spermine
ME112968
1103
C00750
0.70
203.2233
Sphinganine
Sphinganine
ME112969
91486
C00836
12.38
302.3043
Sphingosine_1
Sphingosine
ME112970
5280335
C00319
12.06
300.2899
Sphingosine 1-phosphate
Sphingosine 1-phosphate
ME112972
5283560
C06124
11.14
380.2562
Sphingosine_2
Sphingosine
ME112971
5280335
C00319
13.73
300.2899
SR95531
-
ME112973
107896
C13796
11.95
288.1347
Streptobiosamine
Streptobiosamine
ME112974
20056682
C07655
8.07
338.1447
Succinate_1
Succinic acid
ME112975
1110
C00042
0.90
119.0343
Succinate_2
Succinic acid
ME112976
1110
C00042
2.38
119.0345
Succinic anhydride_1
Succinic anhydride
ME112977
7922
C19524
0.90
101.0238
Succinic anhydride_2
Succinic anhydride
ME112978
7922
C19524
2.38
101.0239
Sulcatone
Sulcatone
ME112979
9862
C07287
7.22
127.1122
Taurine_1
Taurine
ME112980
1123
C00245
0.82
126.0222
Taurine_2
Taurine
ME112981
1123
C00245
8.99
126.0218
Taurocholate_1
Taurocholic acid
ME112982
6675
C05122
8.94
516.2975
Taurocholate_2
Taurocholic acid
ME112983
6675
C05122
9.86
516.2975
Taurodeoxycholate_1
Taurodeoxycholic acid
ME112984
2733768
C05463
11.51
500.3050
Taurodeoxycholate_2
Taurodeoxycholic acid
ME112985
2733768
C05463
12.77
500.3058
Taxa-4(20),11(12)-dien-5alpha-yl acetate_1
-
ME112986
443486
C11896
14.53
331.2629
Taxa-4(20),11(12)-dien-5alpha-yl acetate_2
-
ME112987
443486
C11896
14.76
331.2628
Taxa-4(20),11(12)-dien-5alpha-yl acetate_3
-
ME112988
443486
C11896
13.05
331.2627
Terbufos
Terbufos
ME112989
25670
C18693
6.28
289.0508
Terbutaline_1
Terbutaline
ME112990
5403
C07129
9.23
226.1444
Terbutaline_2
Terbutaline
ME112991
5403
C07129
8.20
226.1447
Terpendole K
-
ME112992
10098083
C20552
11.76
518.2905
Tetrahydropteridine
Tetrahydropteridine
ME112993
156
C05650
0.96
137.0809
Tetralin_1
Tetralin
ME112994
8404
C14114
2.72
133.0997
Tetralin_2
Tetralin
ME112995
8404
C14114
2.42
133.0998
Thiomorpholine 3-carboxylate
Thiomorpholine-3-carboxylic acid
ME112996
440159
C03901
1.48
148.0431
THTA
2-Tetrahydrothiopheneacetic acid
ME112997
443065
C11072
4.96
147.0478
THTC
Tetrahydrothiophene-2-carboxylic acid
ME112998
443066
C11074
2.30
133.0335
Thymidine
Thymidine
ME112999
5789
C00214
5.46
243.0981
Thymine_1
Thymine
ME113000
1135
C00178
3.40
127.0505
Thymine_2
Thymine
ME113001
1135
C00178
5.46
127.0505
Timolol
Timolol
ME113002
33624
C07141
8.11
317.1633
Tolmetin
Tolmetin
ME113003
5509
C07149
0.87
258.1107
Tolmetin sodium
-
ME113004
23665411
C02328
0.90
280.0931
Tolylacetonitrile
-
ME113005
-
C02596
6.26
132.0815
Toxyl angelate_1
Toxyl angelate
ME113006
11953921
C08981
12.29
301.1432
Toxyl angelate_2
Toxyl angelate
ME113007
11953921
C08981
8.94
301.1430
trans-3,4-Dihydro-3,4-dihydroxy-7,12-dimethylbenz[...
-
ME113008
-
C19490
11.73
291.1364
trans-Cinnamate_1
trans-Cinnamic acid
ME113009
444539
C00423
8.45
149.0599
trans-Cinnamate_2
trans-Cinnamic acid
ME113010
444539
C00423
12.10
149.0598
Tremetone
Tremetone
ME113011
78673
C08992
11.24
203.1066
Tris(butoxyethyl)phosphate
-
ME113012
6540
C14446
12.25
399.2489
Trp-P-1_1
-
ME113013
5284474
C19306
12.52
212.1199
Trp-P-1_2
-
ME113014
5284474
C19306
7.29
212.1183
Tussilagine
Tussilagine
ME113015
185071
C10411
8.38
200.1278
Tyramine_1
Tyramine
ME113016
5610
C00483
5.59
138.0917
Tyramine_2
Tyramine
ME113017
5610
C00483
5.91
138.0918
Tyrosine
Tyrosine
ME113018
6057
C00082
3.37
182.0813
Ubenimex
-
ME113019
72172
C00732
14.51
309.1828
Uracil_1
Uracil
ME113020
1174
C00106
4.39
113.0350
Uracil_2
Uracil
ME113021
1174
C00106
1.53
113.0350
Uracil_3
Uracil
ME113022
1174
C00106
2.88
113.0351
Urate
Uric acid
ME113023
1175
C00366
1.93
169.0358
Uridine_1
Uridine
ME113024
6029
C00299
2.89
245.0767
Uridine_2
Uridine
ME113025
6029
C00299
1.59
245.0770
Urocanate_1
Urocanic acid
ME113026
1549103
C00785
1.75
139.0504
Urocanate_2
Urocanic acid
ME113027
1549103
C00785
2.95
139.0505
Urocanate_3
Urocanic acid
ME113028
1549103
C00785
7.43
139.0519
Urocanate_4
Urocanic acid
ME113029
1549103
C00785
2.07
139.0503
Virol B
-
ME113030
10753985
C19994
11.45
263.2002
Vulgaxanthin-I_1
Vulgaxanthin-I
ME113031
5281217
C08568
10.61
340.1154
Vulgaxanthin-I_2
Vulgaxanthin-I
ME113032
5281217
C08568
10.22
340.1148
Wyerone
Wyerone
ME113033
643733
C08465
8.60
259.0969
Xanomeline
Xanomeline
ME113034
60809
C11767
13.65
282.1629
Xylobiose
Xylobiose
ME113035
-
C01630
11.02
283.1009
Zearalenone
Zearalenone
ME113036
5281576
C09981
8.87
319.1551
Zeatin
trans-Zeatin
ME113037
449093
C00371
5.50
220.1179
Zingerone
Zingerone
ME113038
31211
C17497
11.95
195.1021
Zinnimidine_1
Zinnimidine
ME113039
442878
C10626
13.04
262.1431
Zinnimidine_2
Zinnimidine
ME113040
442878
C10626
10.74
262.1436
Analysis: NEGATIVE ION MODE/Peak Height
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
10-Desacetyltaxuyunnanin C
-
ME113074
5460449
C15538
9.87
463.2709
10E,12E-tetradecadiene-4,6-diynoic acid
-
ME113075
5312705
-
11.25
217.1220
10-fluoro-capric acid_1
-
ME113076
9542
-
11.09
191.1434
10-fluoro-capric acid_2
-
ME113077
9542
-
15.48
191.1439
10-fluoro-capric acid_3
-
ME113078
9542
-
15.16
191.1425
10-fluoro-capric acid_4
-
ME113079
9542
-
8.34
191.1437
10-oxo-nonadecanoic acid
-
ME113080
5312916
-
14.45
313.2735
11beta,16alpha,17alpha,21-Tetrahydroxy-9alpha-fluo...
-
ME113081
228786
C14664
6.53
437.2353
11-Chloro-8E,10E-undecadien-1-ol
11-Chloro-8e,10e-undecadien-1-ol
ME113082
44256516
-
5.98
203.1177
11H-Benz[bc]aceanthrylene
-
ME113083
164558
C19335
0.84
241.1026
1,2,3-Trihydroxybenzene
1,2,3-Trihydroxybenzene
ME113071
1057
C01108
0.83
127.0394
1,2,6-Hexanetriol
-
ME113072
7823
C20334
5.71
135.1021
14'-apo-beta-Carotenal
14'-apo-beta-Carotenal
ME113084
5280992
C06734
14.53
311.2367
16-bromo-9E-hexadecenoic acid
-
ME113085
5312946
-
8.48
333.1429
1,8-Dinitropyrene
-
ME113073
39185
C14423
2.25
293.0540
1'-Acetoxyeugenol acetate_1
1'-Acetoxyeugenol acetate
ME113086
4484222
C10427
10.54
265.1057
1'-Acetoxyeugenol acetate_2
1'-Acetoxyeugenol acetate
ME113087
4484222
C10427
7.07
265.1053
1-Aminocyclopropane-1-carboxylate
1-Aminocyclopropanecarboxylic acid
ME113088
535
C01234
1.57
102.0556
1D-1-Guanidino-3-amino-1,3-dideoxy-scyllo-inositol
-
ME113089
25200474
C01298
12.50
221.1250
1-Hydroxy-2-methyl-2-butenyl 4-diphosphate
-
ME113090
5281976
C11811
0.82
263.0088
1-O-Hexadecyl-lyso-sn-glycero-3-phosphocholine
-
ME113091
3983
C13903
12.82
482.3592
1-Phenylethylamine
-
ME113092
7408
C02455
5.60
122.0969
1-Pyrroline-2-carboxylate
1-Pyrroline-2-carboxylic acid
ME113093
440046
C03564
1.96
114.0555
1-Tridecene-3,5,7,9,11-pentayne
1-Tridecene-3,5,7,9,11-pentayne
ME113094
441552
C08464
6.27
163.0523
2,2,4-Trimethyl-3-(4-fluorophenyl)-2H-1-benzopyran...
-
ME113097
255266
C15056
8.88
327.1410
2,2-Dimethyl-8-prenylchromene 6-carboxylic acid_1
2,2-Dimethyl-8-prenylchromene 6-carboxylic acid
ME113098
441962
C09003
9.21
273.1493
2,2-Dimethyl-8-prenylchromene 6-carboxylic acid_2
2,2-Dimethyl-8-prenylchromene 6-carboxylic acid
ME113099
441962
C09003
8.38
273.1492
2,3,5-Trihydroxytoluene
2,3,5-Trihydroxytoluene
ME113100
13026
C03338
2.06
141.0546
2,3,6-Trihydroxypyridine
2,3,6-Trihydroxypyridine
ME113101
440020
C03458
1.20
128.0347
2,3-Dimethylmaleate
Dimethyl maleate
ME113102
5459894
C00922
0.83
145.0497
2,3-Diphenyl-3-(2-pyridinyl)acrylonitrile
-
ME113103
3003768
C15084
3.60
283.1225
2-(3'-Methylthio)propylmalic acid
2-(3-Methylthiopropyl)malic acid
ME113095
24883455
C17214
1.67
223.0633
2,4,5-Trichloro-2,5-cyclohexadiene-1-ol
-
ME113104
62
C06598
1.32
198.9461
2,4,6-Trichloro-4'-biphenylol
-
ME113105
105036
C14189
0.96
272.9636
2,4-Bis(acetamido)-2,4,6-trideoxy-beta-L-altropyra...
-
ME113106
56927717
C19972
5.25
247.1287
2,4-Bis(acetamido)-2,4,6-trideoxy-beta-L-altropyra...
-
ME113107
56927717
C19972
5.67
247.1284
2,4-Bis(acetamido)-2,4,6-trideoxy-beta-L-altropyra...
-
ME113108
56927717
C19972
2.08
247.1287
2,4-DP
Dichlorprop
ME113109
8427
C11020
1.33
234.9908
2,5-Dichloro-4-oxohex-2-enedioate
2,5-Dichloro-4-oxohex-2-enedioate
ME113110
11966252
C12835
0.75
226.9515
2,5-Dioxopentanoate
-
ME113111
21872870
C00433
1.67
131.0343
2-(6'-Methylthio)hexylmalic acid
-
ME113096
44237240
C17226
1.46
265.1113
2-Aceto-2-hydroxybutanoate
2-Acetolactate
ME113112
21
C00659
0.90
147.0656
2-Amino-9,10-epoxy-8-oxodecanoic acid
2-Amino-9,10-epoxy-8-oxodecanoic acid
ME113113
443587
C12027
5.57
216.1233
2-Amino-9H-pyrido[2,3-b]indole
-
ME113114
62805
C19186
3.37
184.0864
2-Aminoadenosine
2-Aminoadenosine
ME113115
72200
C00939
7.17
283.1157
2-Aminomuconate
2-Aminomuconic acid
ME113116
20849110
C02220
6.99
158.0460
2-Chloro-cis,cis-muconate
-
ME113117
9543209
C03572
1.34
176.9960
2E,4Z-Heptadien-1-ol
-
ME113118
11355460
-
6.24
113.0967
2-Ethylhexyl phthalate_1
Monoethylhexyl phthalic acid
ME113119
-
C03343
8.93
279.1582
2-Ethylhexyl phthalate_2
Monoethylhexyl phthalic acid
ME113120
-
C03343
12.12
279.1597
2-Ethylhexyl phthalate_3
Monoethylhexyl phthalic acid
ME113121
-
C03343
13.22
279.1598
2-Furoate
2-Furoic acid
ME113122
6919
C01546
0.92
113.0238
2-Hydroxycyclohexan-1-one
2-Hydroxycyclohexan-1-one
ME113123
10785
C01147
6.66
115.0759
2-Hydroxyethylphosphonate
2-Hydroxyethylphosphonic acid
ME113124
89954
C06451
1.30
127.0158
2-Hydroxymethylclavam
-
ME113125
3050259
C17357
0.83
144.0656
2-Naphthylamine_1
2-Aminonaphthalene
ME113126
7057
C02227
6.26
144.0816
2-Naphthylamine_2
2-Aminonaphthalene
ME113127
7057
C02227
6.72
144.0812
2-O-(beta-D-galactopyranosyl-(1->6)-beta-D-galacto...
-
ME113128
56936283
-
11.88
571.2985
2-Oxoglutaramate
2-Keto-glutaramic acid
ME113129
48
C00940
1.20
146.0449
2-Oxosuberate
-
ME113130
146903
C16589
6.27
189.0742
2R-aminoheptanoic acid_1
2R-Aminoheptanoic acid
ME113131
5312964
-
5.66
146.1179
2R-aminoheptanoic acid_2
2R-Aminoheptanoic acid
ME113132
5312964
-
1.86
146.1176
2R-aminoheptanoic acid_3
2R-Aminoheptanoic acid
ME113133
5312964
-
1.50
146.1178
2-Thiophenesulfonamide
-
ME113134
72881
C14764
0.30
163.9838
3-(2-Hydroxyphenyl)propanoate
3-(2-Hydroxyphenyl)propanoic acid
ME113135
6930705
C01198
11.95
167.0706
3,3'-Dimethylbisphenol A
-
ME113136
6620
C14339
11.09
257.1540
3,4-Dihydroxyphenylethyleneglycol_1
3,4-Dihydroxyphenylglycol
ME113137
91528
C05576
5.51
171.0647
3,4-Dihydroxyphenylethyleneglycol_2
3,4-Dihydroxyphenylglycol
ME113138
91528
C05576
3.04
171.0634
3,4-Methylenedioxymethamphetamine_1
3,4-Methylenedioxymethamphetamine
ME113139
1615
C07577
7.14
194.1159
3,4-Methylenedioxymethamphetamine_2
3,4-Methylenedioxymethamphetamine
ME113140
1615
C07577
5.39
194.1177
3,5,7-Trimethyl-2E,4E,6E,8E-decatetraene_1
-
ME113141
14656044
-
12.90
177.1639
3,5,7-Trimethyl-2E,4E,6E,8E-decatetraene_2
-
ME113142
14656044
-
14.36
177.1641
3,5,7-Trimethyl-2E,4E,6E,8E-decatetraene_3
-
ME113143
14656044
-
7.45
177.1641
3,5,7-Trimethyl-2E,4E,6E,8E-decatetraene_4
-
ME113144
14656044
-
11.48
177.1643
3alpha,7alpha-Dihydroxy-12-oxo-5beta-cholanate_1
-
ME113145
439472
C01292
9.49
407.2798
3alpha,7alpha-Dihydroxy-12-oxo-5beta-cholanate_2
-
ME113146
439472
C01292
10.03
407.2800
3alpha,7alpha-Dihydroxy-12-oxo-5beta-cholanate_3
-
ME113147
439472
C01292
9.13
407.2794
3alpha,7alpha-Dihydroxy-12-oxo-5beta-cholanate_4
-
ME113148
439472
C01292
9.80
407.2799
3alpha,7alpha-Dihydroxy-12-oxo-5beta-cholanate_5
-
ME113149
439472
C01292
8.86
407.2799
3-amino-octanoic acid_1
3-Aminooctanoic acid
ME113150
295606
-
3.08
160.1335
3-amino-octanoic acid_2
3-Aminooctanoic acid
ME113151
295606
-
6.67
160.1337
(3-Arylcarbonyl)-alanine_1
-
ME113046
412786
C03450
6.99
194.0812
(3-Arylcarbonyl)-alanine_2
-
ME113047
412786
C03450
10.06
194.0815
3-Chloro-4-(dichloromethyl)-5-hydroxy-2(5H)-furano...
-
ME113152
53665
C19205
0.78
216.9230
3-Chloro-D-alanine_1
3-Chloro-D-alanine
ME113153
439771
C02634
0.68
124.0148
3-Chloro-D-alanine_2
3-Chloro-D-alanine
ME113154
439771
C02634
5.01
124.0153
3-Chloro-D-alanine_3
3-Chloro-D-alanine
ME113155
439771
C02634
1.37
124.0153
3-Dehydroecdysone_1
3-Dehydroecdysone
ME113156
5460083
C02513
10.08
463.3041
3-Dehydroecdysone_2
3-Dehydroecdysone
ME113157
5460083
C02513
10.91
463.3040
3-Dehydroshikimate
3-Dehydroshikimate
ME113158
439774
C02637
1.96
173.0438
3-Deoxyvitamin D3
3-Deoxyvitamin D3
ME113159
24779628
-
16.95
369.3512
3-Ethoxyandrosta-3,5-dien-17beta-ol propanoate_1
-
ME113160
251872
C15057
9.84
373.2743
3-Ethoxyandrosta-3,5-dien-17beta-ol propanoate_2
-
ME113161
251872
C15057
9.36
373.2743
3-Hydroxyanthranilate
3-Hydroxyanthranilic acid
ME113162
86
C00632
5.13
154.0502
3-Hydroxy-L-glutamate
3-Hydroxyglutamic acid
ME113163
439897
C03066
3.11
164.0541
3-Ketosphingosine
3-Ketosphingosine
ME113164
9839212
C06121
11.28
298.2735
3-Methyl-2-oxobutanoic acid
Ketoisovaleric acid
ME113165
49
C00141
0.88
117.0552
3-Methyleneoxindole_1
3-Methyleneoxindole
ME113166
150946
C02796
6.29
146.0601
3-Methyleneoxindole_2
3-Methyleneoxindole
ME113167
150946
C02796
8.36
146.0600
3-Methyleneoxindole_3
3-Methyleneoxindole
ME113168
150946
C02796
7.43
146.0598
3-Methylguanine_1
3-Methylguanine
ME113169
76292
C02230
5.40
166.0718
3-Methylguanine_2
3-Methylguanine
ME113170
76292
C02230
2.69
166.0730
3-O-alpha-Mycarosylerythronolide B
3-O-alpha-Mycarosylerythronolide B
ME113171
441108
C06630
11.88
547.3469
3-Oxochola-1,4-dien-24-oic Acid_1
-
ME113172
5283991
-
9.50
371.2576
3-Oxochola-1,4-dien-24-oic Acid_2
-
ME113173
5283991
-
9.10
371.2579
3-Oxochola-1,4-dien-24-oic Acid_3
-
ME113174
5283991
-
10.67
371.2581
3-Sulfocatechol
3-Sulfocatechol
ME113175
9543247
C06336
1.88
191.0000
3-Sulfomuconate
-
ME113176
9543213
C06675
2.32
222.9906
3-Sulfopyruvate_1
3-Sulfopyruvic acid
ME113177
440717
C05528
1.37
168.9815
3-Sulfopyruvate_2
3-Sulfopyruvic acid
ME113178
440717
C05528
1.94
168.9787
3-tert-Butyl-5-methylcatechol_1
3-tert-Butyl-5-methylcatechol
ME113179
66095
C03929
10.06
181.1224
3-tert-Butyl-5-methylcatechol_2
3-tert-Butyl-5-methylcatechol
ME113180
66095
C03929
14.37
181.1224
4,10-undecadiynal
-
ME113182
5283360
-
9.79
163.1119
4,6'-Epoxyorotiniflavan-4-ol
-
ME113183
44257141
-
11.36
437.1948
4,7-dioxo-octanoic acid
4,7-Dioxo-octanoic acid
ME113184
244084
-
8.20
173.0827
4-Acetamidobutanoate_1
4-Acetamidobutanoic acid
ME113185
6991994
C02946
4.55
146.0813
4-Acetamidobutanoate_2
4-Acetamidobutanoic acid
ME113186
6991994
C02946
1.29
146.0814
4-Amino-2-hydroxylamino-6-nitrotoluene_1
-
ME113187
9543061
C16403
12.27
184.0733
4-Amino-2-hydroxylamino-6-nitrotoluene_2
-
ME113188
9543061
C16403
11.86
184.0734
4-Aminobiphenyl
4-Aminobiphenyl
ME113189
7102
C10998
12.26
170.0968
4-Aminobutanoate
gamma-Aminobutyric acid
ME113190
119
C00334
0.88
104.0712
4-Cumylphenol
4-Cumylphenol
ME113191
11742
C14258
12.70
213.1276
4-Dodecylphenol_1
4-Dodecylphenol
ME113192
66030
C14245
14.61
263.2368
4-Dodecylphenol_2
4-Dodecylphenol
ME113193
66030
C14245
13.79
263.2365
4-Fluorocyclohexadiene-cis,cis-1,2-diol_1
-
ME113194
11829464
C16483
5.39
131.0495
4-Fluorocyclohexadiene-cis,cis-1,2-diol_2
-
ME113195
11829464
C16483
8.04
131.0496
4-Guanidinobutanal_1
4-Guanidinobutanal
ME113196
559
C02647
1.73
130.0978
4-Guanidinobutanal_2
4-Guanidinobutanal
ME113197
559
C02647
4.95
130.0977
4-Guanidinobutanoate_1
4-Guanidinobutanoic acid
ME113198
500
C01035
6.72
146.0934
4-Guanidinobutanoate_2
4-Guanidinobutanoic acid
ME113199
500
C01035
1.72
146.0925
4-Hydroxy-3-nitrosobenzamide
4-Hydroxy-3-nitrosobenzamide
ME113200
443631
C12114
2.29
167.0467
4-Hydroxy-4-methylglutamate
(2S,4S)-4-Amino-2-hydroxy-2-methylpentanedioic acid
ME113201
23377630
C06034
1.00
178.0711
4-Hydroxybutanoic acid_1
4-Hydroxybutyric acid
ME113202
10413
C00989
2.51
105.0551
4-Hydroxybutanoic acid_2
4-Hydroxybutyric acid
ME113203
10413
C00989
2.28
105.0552
4-Hydroxybutanoic acid_3
4-Hydroxybutyric acid
ME113204
10413
C00989
1.90
105.0550
4-Hydroxyphenylacetate
4-Hydroxyphenyl acetate
ME113205
127
C00642
7.65
153.0552
4-Ketocyclophosphamide
4-Ketocyclophosphamide
ME113206
33676
C07644
6.68
275.0133
4'-Methoxychalcone
-
ME113207
641818
-
0.81
239.1066
4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol
4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol
ME113181
104856
C19574
6.26
210.1255
4-Nitrophenol
4-Nitrophenol
ME113208
980
C00870
3.09
140.0346
4-Oxoproline_1
4-Oxo-proline
ME113209
107541
C01877
1.96
130.0501
4-Oxoproline_2
4-Oxo-proline
ME113210
107541
C01877
0.81
130.0500
4-Phenethylphenol
-
ME113211
80630
C14340
6.54
199.1102
4-Prenylresveratrol
4-Prenylresveratrol
ME113212
5281725
C10285
12.41
297.1485
4-Pyridoxate
4-Pyridoxic acid
ME113213
6723
C00847
5.15
184.0602
4-Vinylcyclohexene
-
ME113214
7499
C19310
7.22
109.1019
(4Z,7Z,10Z,13Z,16Z,19Z)-Docosahexaenoic acid_1
DHA
ME113048
445580
C06429
14.19
329.2475
(4Z,7Z,10Z,13Z,16Z,19Z)-Docosahexaenoic acid_2
DHA
ME113049
445580
C06429
12.77
329.2474
(4Z,7Z,10Z,13Z,16Z,19Z)-Docosahexaenoic acid ethyl...
-
ME113050
9831416
C16185
11.09
357.2793
(4Z,7Z,10Z,13Z,16Z,19Z)-Docosahexaenoic acid ethyl...
-
ME113051
9831416
C16185
10.21
357.2782
(4Z,7Z,10Z,13Z,16Z,19Z)-Docosahexaenoic acid ethyl...
-
ME113052
9831416
C16185
9.16
357.2771
(4Z,7Z,10Z,13Z,16Z,19Z)-Docosahexaenoic acid ethyl...
-
ME113053
9831416
C16185
14.88
357.2778
5-(2-Hydroxyethyl)-4-methylthiazole
5-(2-Hydroxyethyl)-4-methylthiazole
ME113215
1136
C04294
1.46
144.0484
5,6-Dihydrothymine_1
Dihydrothymine
ME113216
93556
C00906
0.99
129.0659
5,6-Dihydrothymine_2
Dihydrothymine
ME113217
93556
C00906
2.52
129.0662
5,6-Dihydrouracil
Dihydrouracil
ME113218
649
C00429
1.34
115.0507
5,7,9,11,13-tetradecapentaenoic acid_1
-
ME113219
5312410
-
11.58
219.1380
5,7,9,11,13-tetradecapentaenoic acid_2
-
ME113220
5312410
-
12.45
219.1378
5,7,9,11,13-tetradecapentaenoic acid_3
-
ME113221
5312410
-
14.08
219.1383
5-Acetamidopentanoate_1
5-Acetamidovaleric acid
ME113222
439903
C03087
2.31
160.0970
5-Acetamidopentanoate_2
5-Acetamidovaleric acid
ME113223
439903
C03087
5.92
160.0970
5-Acetamidopentanoate_3
5-Acetamidovaleric acid
ME113224
439903
C03087
1.30
160.0971
5alpha-Androstan-17beta-ol propionate
-
ME113225
238386
C15373
15.32
333.2789
5-Aminolevulinate_1
5-Amino-levulinic acid
ME113226
137
C00430
0.85
132.0659
5-Aminolevulinate_2
5-Amino-levulinic acid
ME113227
137
C00430
2.06
132.0657
5-Aminolevulinate_3
5-Amino-levulinic acid
ME113228
137
C00430
2.72
132.0638
5-exo-Hydroxy-1,2-campholide
5-exo-Hydroxy-1,2-campholide
ME113229
440138
C03843
7.53
185.1154
5-Guanidino-2-oxopentanoate
2-Oxoarginine
ME113230
558
C03771
1.22
174.0876
5-Hydroxyindoleacetate_1
5-Hydroxyindoleacetic acid
ME113231
1826
C05635
6.81
192.0657
5-Hydroxyindoleacetate_2
5-Hydroxyindoleacetic acid
ME113232
1826
C05635
7.09
192.0658
5-Hydroxy-L-tryptophan_1
5-Hydroxy-tryptophan
ME113233
439280
C00643
3.87
221.0920
5-Hydroxy-L-tryptophan_2
5-Hydroxy-tryptophan
ME113234
439280
C00643
2.40
221.0921
5-Hydroxy-L-tryptophan_3
5-Hydroxy-tryptophan
ME113235
439280
C00643
5.57
221.0918
5-Hydroxypentanoate_1
5-Hydroxyvaleric acid
ME113236
25945
C02804
6.26
119.0722
5-Hydroxypentanoate_2
5-Hydroxyvaleric acid
ME113237
25945
C02804
0.96
119.0705
5-L-Glutamyl-taurine
5-L-Glutamyl-taurine
ME113238
68759
C05844
8.75
255.0654
5-Methylthiopentanaldoxime
5-Methylthiopentanaldoxime
ME113239
25010757
C17245
0.81
148.0808
5-Nitro-ortho-anisidine
2-Methoxy-5-nitroaniline
ME113240
7447
C19469
0.81
169.0589
5-N-Methyloxaluric acid
-
ME113241
443075
C11117
1.18
147.0409
5-O-Methyl-myo-inositol
1D-5-O-Methyl-myo-inositol
ME113242
439990
C03365
6.99
195.0852
5S-HETE di-endoperoxide
5S-HETE di-endoperoxide
ME113243
52921873
-
13.57
403.2334
5-Sulfosalicylate_1
5-Sulfosalicylic acid
ME113244
7322
C16199
4.31
218.9951
5-Sulfosalicylate_2
5-Sulfosalicylic acid
ME113245
7322
C16199
3.95
218.9948
5-Sulfosalicylate_3
5-Sulfosalicylic acid
ME113246
7322
C16199
2.28
218.9957
5-Ureido-4-imidazole carboxylate_1
-
ME113247
155
C05515
6.67
171.0497
5-Ureido-4-imidazole carboxylate_2
-
ME113248
155
C05515
0.97
171.0515
6,8-Dimethyl-6,7,8,9-tetradehydroergoline
-
ME113249
57339211
C20457
13.80
238.1460
6,8-Dimethyl-6,7-didehydroergoline_1
-
ME113250
57339187
C20409
16.17
240.1621
6,8-Dimethyl-6,7-didehydroergoline_2
-
ME113251
57339187
C20409
15.76
240.1623
(6Z,9Z,12Z)-Octadecatrienoic acid_1
gamma-Linolenic acid
ME113054
5280933
C06426
12.12
279.2320
(6Z,9Z,12Z)-Octadecatrienoic acid_2
gamma-Linolenic acid
ME113055
5280933
C06426
12.01
279.2321
(6Z,9Z,12Z)-Octadecatrienoic acid_3
gamma-Linolenic acid
ME113056
5280933
C06426
13.95
279.2319
7,8-Diaminononanoate
7,8-Diaminononanoic acid
ME113252
652
C01037
0.82
189.1602
7-Chloroemodin
7-Chloroemodin
ME113253
442729
C10311
6.27
305.0221
7-oxo-11E,13-Tetradecadienoic acid_1
-
ME113254
44256504
-
12.31
239.1644
7-oxo-11E,13-Tetradecadienoic acid_2
-
ME113255
44256504
-
10.06
239.1644
8-Deoxylactucin
Deoxylactucin
ME113256
442196
C09392
9.71
261.1102
(8Z,11Z,14Z)-Icosatrienoic acid
Dihomo-gamma-linolenic acid
ME113057
5280581
C03242
14.93
307.2627
9,12,13-TriHOME_1
9,12,13-TriHOME
ME113257
9858729
C14833
10.34
331.2484
9,12,13-TriHOME_2
9,12,13-TriHOME
ME113258
9858729
C14833
9.77
331.2483
9,12,15-Octadecatrien-1-ol
-
ME113259
5367327
-
16.48
265.2528
9,12-Hexadecadienylcarnitine
-
ME113260
-
-
13.12
424.3416
9-amino-nonanoic acid
9-Aminononanoic acid
ME113261
136877
-
5.27
174.1487
(9Z)-Hexadecenoic acid_1
Palmitoleic acid
ME113058
445638
C08362
11.73
255.2322
(9Z)-Hexadecenoic acid_2
Palmitoleic acid
ME113059
445638
C08362
14.37
255.2323
(9Z)-Hexadecenoic acid_3
Palmitoleic acid
ME113060
445638
C08362
12.77
255.2323
(9Z)-Hexadecenoic acid_4
Palmitoleic acid
ME113061
445638
C08362
12.36
255.2322
(9Z)-Octadecenoic acid
Oleic acid
ME113062
445639
C00712
15.75
283.2640
Abacavir
Abacavir
ME113262
441300
C07624
6.42
287.1607
Abietate_1
Abietic acid
ME113263
10569
C06087
13.85
303.2315
Abietate_2
Abietic acid
ME113264
10569
C06087
12.50
303.2319
Acutumidine
Acutumidine
ME113265
442840
C10565
0.81
384.1204
Agroclavine_1
Agroclavine
ME113266
73484
C09023
14.57
239.1538
Agroclavine_2
Agroclavine
ME113267
73484
C09023
14.76
239.1535
Alantolactone_1
Alantolactone
ME113268
72724
C09289
12.53
233.1536
Alantolactone_2
Alantolactone
ME113269
72724
C09289
14.19
233.1548
Albafuran A
-
ME113270
5281297
C08732
8.56
379.1919
Allantoate
Allantoic acid
ME113271
203
C00499
0.75
177.0612
Allantoin
Allantoin
ME113272
204
C01551
0.91
159.0512
Allidochlor_1
-
ME113273
7157
C19043
11.72
174.0678
Allidochlor_2
-
ME113274
7157
C19043
12.77
174.0679
alpha-Ergocryptine
-
ME113275
134551
C07545
11.87
576.3192
alpha-Erythroidine
alpha-Erythroidine
ME113276
441076
C06531
11.34
274.1451
alpha-Ethyl-alpha,beta-diphenyl-2-pyridineethanol
-
ME113277
231445
C15028
13.67
304.1714
alpha-Ionone_1
alpha-Ionone
ME113278
5282108
C12286
14.62
193.1588
alpha-Ionone_2
alpha-Ionone
ME113279
5282108
C12286
15.33
193.1586
alpha-Methylstyrene_1
-
ME113280
7407
C14395
9.22
119.0859
alpha-Methylstyrene_2
-
ME113281
7407
C14395
11.36
119.0860
alpha-Oxo-benzeneacetic acid
Phenylglyoxylic acid
ME113282
11915
C02137
6.67
151.0393
alpha-Ribazole
alpha-Ribazole
ME113283
160433
C05775
5.89
279.1336
alpha-Santonin
alpha-Santonin
ME113284
221071
C02206
13.81
247.1318
alpha-Sinensal_1
Sinensal
ME113285
5281534
C09729
12.83
219.1744
alpha-Sinensal_2
Sinensal
ME113286
5281534
C09729
15.93
219.1743
Aminoimidazole ribotide
AIR
ME113287
161500
C03373
0.86
296.0654
Ammeline
Ammeline
ME113288
12583
C08733
5.49
128.0547
Anandamide (18:3, n-6)
gamma-Linolenoyl-EA
ME113289
5283445
-
14.61
322.2742
(-)-Annonaine
-
ME113041
160597
C09339
1.46
266.1156
Anthopleurine
-
ME113290
14844435
C16994
5.60
178.1063
Anthranilate
2-Aminobenzoic acid
ME113291
227
C00108
7.39
138.0552
Apigenin
Apigenin
ME113292
5280443
C01477
9.71
271.0608
Arachidonate_1
Arachidonic acid
ME113293
444899
C00219
14.39
305.2470
Arachidonate_2
Arachidonic acid
ME113294
444899
C00219
12.71
305.2470
Arnebinol
-
ME113295
5281558
C09917
14.19
245.1537
Aromatic aldehyde_1
Benzaldehyde
ME113296
240
C00193
5.40
107.0497
Aromatic aldehyde_2
Benzaldehyde
ME113297
240
C00193
3.37
107.0494
Aspartame_1
Aspartame
ME113298
134601
C11045
6.40
295.1294
Aspartame_2
Aspartame
ME113299
134601
C11045
11.02
295.1273
Bakkenolide A_1
Bakkenolide A
ME113300
442173
C09350
14.37
235.1695
Bakkenolide A_2
Bakkenolide A
ME113301
442173
C09350
12.73
235.1697
Bakkenolide A_3
Bakkenolide A
ME113302
442173
C09350
14.60
235.1695
Batrachotoxin
Batrachotoxin
ME113303
6324647
C13750
11.94
539.3135
Bentazone-sodium
-
ME113304
13124860
C18594
6.86
263.0459
Benz[a]acridine_1
-
ME113305
9180
C19337
1.22
230.0957
Benz[a]acridine_2
-
ME113306
9180
C19337
14.34
230.0971
Benz[a]acridine_3
-
ME113307
9180
C19337
9.33
230.0959
Benzimidazole
1H-Benzimidazole
ME113308
5798
C02009
0.88
119.0589
Benzoate
Benzoic acid
ME113309
243
C00180
3.37
123.0445
Benzofuran
Benzofuran
ME113310
9223
C14512
5.68
119.0494
Benzotrichloride
-
ME113311
7367
C19166
2.29
194.9511
Benzoyl phosphate
Benzoyl phosphate
ME113312
151426
C06206
2.29
203.0120
Benzyl 2-methyl-3-oxobutanoate
Benzyl 2-methyl-3-oxobutanoate
ME113313
440192
C04000
6.27
207.1023
Benzyl nicotinate
Benzyl nicotinate
ME113314
7191
C12865
7.46
214.0855
beta-Carboline
beta-Carboline
ME113315
64961
C20157
7.03
169.0764
Betamethasone
Betamethasone
ME113316
9782
C06848
6.37
393.2088
Biochanin A
Biochanin A
ME113317
5280373
C00814
8.82
285.0769
Biotin
Biotin
ME113318
171548
C00120
1.74
245.0964
Bis(chloromethyl) ether
-
ME113319
10967
C19158
0.14
114.9726
Bixin_1
Bixin
ME113320
6376436
C08582
15.63
395.2208
Bixin_2
Bixin
ME113321
6376436
C08582
15.88
395.2208
(+)-Bornane-2,5-dione_1
Bornane-2,5-dione
ME113043
20218
C03037
6.83
167.1067
(+)-Bornane-2,5-dione_2
Bornane-2,5-dione
ME113044
20218
C03037
14.39
167.1066
(+)-Bornane-2,5-dione_3
Bornane-2,5-dione
ME113045
20218
C03037
12.48
167.1070
Botrydial
Botrydial
ME113322
185781
C09622
10.79
311.1846
Buclizine
Buclizine
ME113323
6729
C07777
11.36
433.2413
Bufadienolide
-
ME113324
-
C16921
9.87
355.2635
Buprenorphine_1
Buprenorphine
ME113325
644073
C08007
11.32
468.3100
Buprenorphine_2
Buprenorphine
ME113326
644073
C08007
13.33
468.3109
Buprenorphine_3
Buprenorphine
ME113327
644073
C08007
12.71
468.3092
Butabarbital_1
Butabarbital
ME113328
2479
C07827
5.13
213.1235
Butabarbital_2
Butabarbital
ME113329
2479
C07827
12.51
213.1233
Calcium glycerophosphate
-
ME113330
-
C12935
0.86
210.9677
Calystegin B2
Calystegin B2
ME113331
443000
C10851
2.85
176.0924
Capillanol
-
ME113332
5315669
C17783
10.18
175.1118
CCCP
CCCP
ME113333
2603
C11164
1.35
205.0289
Cholesterol sulfate
Cholesterol sulfate
ME113334
65076
C18043
8.80
467.3210
Cinnamaldehyde_1
Cinnamaldehyde
ME113335
637511
C00903
9.81
133.0650
Cinnamaldehyde_2
Cinnamaldehyde
ME113336
637511
C00903
2.72
133.0658
Cinnamaldehyde_3
Cinnamaldehyde
ME113337
637511
C00903
7.23
133.0649
cis-2,3-Dihydro-2,3-dihydroxybiphenyl_1
(1S,2R)-3-Phenylcyclohexa-3,5-diene-1,2-diol
ME113338
5459789
C06589
10.21
189.0916
cis-2,3-Dihydro-2,3-dihydroxybiphenyl_2
(1S,2R)-3-Phenylcyclohexa-3,5-diene-1,2-diol
ME113339
5459789
C06589
10.09
189.0914
Clopyralid
Clopyralid
ME113340
15553
C18779
0.93
191.9624
Codeinone
Codeinone
ME113341
5459910
C06171
12.43
298.1447
Corticosterone_1
Corticosterone
ME113342
5753
C02140
9.33
347.2225
Corticosterone_2
Corticosterone
ME113343
5753
C02140
9.89
347.2232
Coumarin_1
Coumarin
ME113344
18327169
C05851
3.53
147.0444
Coumarin_2
Coumarin
ME113345
18327169
C05851
7.53
147.0444
Coumestrol 3-O-glucoside
-
ME113346
44257528
-
7.13
431.0961
Creatine
Creatine
ME113347
586
C00300
1.01
132.0770
Crotanecine_1
Crotanecine
ME113348
394146
C10284
1.92
172.0969
Crotanecine_2
Crotanecine
ME113349
394146
C10284
4.55
172.0968
Cucurbic acid_1
Cucurbic acid
ME113350
5281159
C08482
13.54
213.1470
Cucurbic acid_2
Cucurbic acid
ME113351
5281159
C08482
9.22
213.1480
Cyclohexane-1,3-dione_1
Cyclohexane-1,3-dione
ME113352
10434
C01066
2.42
113.0602
Cyclohexane-1,3-dione_2
Cyclohexane-1,3-dione
ME113353
10434
C01066
10.52
113.0602
Cyclohexane-1,3-dione_3
Cyclohexane-1,3-dione
ME113354
10434
C01066
3.42
113.0601
Cyclohexylsulfamate
Cyclamic acid
ME113355
7533
C02824
6.54
180.0704
Cytidine
Cytidine
ME113356
6175
C00475
1.74
244.0927
Cytosine_1
Cytosine
ME113357
597
C00380
1.73
112.0509
Cytosine_2
Cytosine
ME113358
597
C00380
2.29
112.0511
Deazaflavin
-
ME113359
5376058
C01800
1.18
214.0596
Debromoaplysiatoxin
-
ME113360
2967
C05148
8.50
593.3316
Decoside
Decoside
ME113361
441854
C08860
11.44
547.2876
Deethylatrazine
6-Chloro-N-(1-methylethyl)-1,3,5-triazine-2,4-diamine
ME113362
22563
C06559
6.26
188.0709
Dehydrospermidine
-
ME113363
23657850
C15853
1.17
144.1478
Deisopropyldeethylatrazine
-
ME113364
18831
C06560
1.33
146.0231
Dethiobiotin_1
Dethiobiotin
ME113365
445027
C01909
5.35
215.1396
Dethiobiotin_2
Dethiobiotin
ME113366
445027
C01909
7.04
215.1389
D-Galactose 6-sulfate
Galactose 6-sulfate
ME113367
439386
C01067
2.35
261.0282
D-Glucarate
Glucaric acid
ME113368
33037
C00818
1.01
211.0440
D-Glucose
Glucose
ME113369
5793
C00031
6.67
181.0691
Diacetylaminoazotoluene
-
ME113370
6751
C17380
12.61
310.1534
Dienestrol_1
-
ME113371
667476
C08090
11.59
267.1399
Dienestrol_2
-
ME113372
667476
C08090
12.16
267.1380
Diethylene glycol_1
Diethylene glycol
ME113373
8117
C14689
1.69
107.0710
Diethylene glycol_2
Diethylene glycol
ME113374
8117
C14689
7.53
107.0708
Diethylpropion
Diethylpropion
ME113375
7029
C06954
5.16
206.1520
Difenpiramide_1
-
ME113376
100472
C17720
11.94
289.1349
Difenpiramide_2
-
ME113377
100472
C17720
8.94
289.1346
Dihydro-4,4-dimethyl-2,3-furandione_1
2-Dehydropantolactone
ME113378
39
C01125
3.88
129.0553
Dihydro-4,4-dimethyl-2,3-furandione_2
2-Dehydropantolactone
ME113379
39
C01125
0.94
129.0548
Dihydro-4,4-dimethyl-2,3-furandione_3
2-Dehydropantolactone
ME113380
39
C01125
1.69
129.0527
Dimepiperate
-
ME113381
91679
C14571
6.32
264.1422
Dimethisterone
Dimethisterone
ME113382
6607
C07628
9.36
341.2477
Dinitrochlorobenzene_1
-
ME113383
6
C14397
2.32
202.9854
Dinitrochlorobenzene_2
-
ME113384
6
C14397
1.87
202.9852
Dinitrochlorobenzene_3
-
ME113385
6
C14397
1.47
202.9873
Diosgenin_1
Diosgenin
ME113386
99474
C08898
11.48
415.3225
Diosgenin_2
Diosgenin
ME113387
99474
C08898
10.13
415.3225
D-Lysopine
D-Lysopine
ME113388
193187
C04020
1.34
219.1344
Dobutamine
-
ME113389
36811
C06967
13.65
302.1763
D-Octopine
D-Octopine
ME113390
108172
C04137
2.14
247.1394
Dodecanamide
Dodecanamide
ME113391
14256
C13831
11.20
200.2010
Dodemorph
-
ME113392
61899
C18786
14.54
282.2789
Dopamine
Dopamine
ME113393
681
C03758
4.69
154.0865
D-Ribitol 5-phosphate
D-Ribitol 5-phosphate
ME113394
151104
C01068
1.18
233.0420
D-Ribose
Ribose
ME113395
5779
C00121
1.57
151.0619
(E)-4-(Trimethylammonio)but-2-enoate
(E)-4-(Trimethylammonio)but-2-enoate
ME113063
5462194
C04114
1.17
144.1022
Epothilone C
-
ME113396
9891226
C15694
9.52
478.2617
Ethephon
-
ME113397
27982
C18399
0.26
144.9824
Etidronic acid
Etidronic acid
ME113398
3305
C07736
1.89
206.9799
Etodolac
Etodolac
ME113399
3308
C06991
12.42
288.1604
Fagomine_1
Fagomine
ME113400
72259
C10144
1.33
148.0970
Fagomine_2
Fagomine
ME113401
72259
C10144
1.99
148.0968
Felbamate
Felbamate
ME113402
3331
C07501
5.37
239.1028
Fenoprofen
Fenoprofen
ME113403
3342
C06997
8.02
243.1012
Ferricyanide_1
-
ME113404
439210
C00324
2.28
212.9614
Ferricyanide_2
-
ME113405
439210
C00324
1.53
212.9590
Fexofenadine
Fexofenadine
ME113406
3348
C06999
11.73
502.2929
Fludrocortisone acetate
Fludrocortisone acetate
ME113407
225609
C08186
8.11
423.2169
Furfural diethyl acetal_1
-
ME113408
83553
C14280
6.32
171.0996
Furfural diethyl acetal_2
-
ME113409
83553
C14280
12.27
171.0998
Furfural diethyl acetal_3
-
ME113410
83553
C14280
7.88
171.1018
Fusicoccin H_1
-
ME113411
5281364
C09093
11.15
483.2964
Fusicoccin H_2
-
ME113412
5281364
C09093
9.73
483.2975
gamma-Coniceine
gamma-Coniceine
ME113413
442632
C10138
5.43
126.1282
gamma-Glutamyl-gamma-aminobutyraldehyde
gamma-Glutamyl-gamma-aminobutyraldehyde
ME113414
23724544
C15700
2.87
217.1186
gamma-L-Glutamyl-D-alanine
gamma-L-Glutamyl-D-alanine
ME113415
25200557
C03738
1.39
219.0969
gamma-L-Glutamyl-L-cysteinyl-beta-alanine
Homoglutathione
ME113416
7098648
C04544
3.03
322.1064
Glutarate_1
Glutaric acid
ME113417
743
C00489
2.88
133.0497
Glutarate_2
Glutaric acid
ME113418
743
C00489
0.90
133.0498
Glycocholate_1
Glycocholic acid
ME113419
10140
C01921
9.23
466.3173
Glycocholate_2
Glycocholic acid
ME113420
10140
C01921
8.75
466.3166
Glycyl-leucine_1
Gly-Leu
ME113421
92843
C02155
1.57
189.1233
Glycyl-leucine_2
Gly-Leu
ME113422
92843
C02155
1.39
189.1233
Glycyl-leucine_3
Gly-Leu
ME113423
92843
C02155
5.59
189.1235
GV 150013X
-
ME113424
5311147
C15096
9.87
535.2708
Gymnodimine_1
Gymnodimine
ME113425
11649137
C20025
12.09
508.3401
Gymnodimine_2
Gymnodimine
ME113426
11649137
C20025
13.33
508.3401
Heneicosanedioic acid_1
Heneicosanedioic acid
ME113427
9543668
-
14.51
357.2999
Heneicosanedioic acid_2
Heneicosanedioic acid
ME113428
9543668
-
14.70
357.2999
hexadecanedioic acid mono-L-carnitine ester
CAR 16:2
ME113429
566787
-
10.21
430.3162
Hexadecasphinganine
C16 Sphinganine
ME113430
656816
C13915
10.60
274.2741
Hexylamine
Hexylamine
ME113431
8102
C08306
5.22
102.1283
Himbacine
-
ME113432
6436265
C10598
14.38
346.2741
Hippurate
Hippuric acid
ME113433
464
C01586
6.67
180.0656
Histamine
Histamine
ME113434
774
C00388
0.76
112.0875
Hoechst 33342
-
ME113435
1464
C11189
7.53
453.2417
Homostachydrine
(S)-Homostachydrine
ME113436
441447
C08283
1.90
158.1177
Imazaquin
-
ME113437
54739
C05076
11.86
312.1343
Indole_1
Indole
ME113438
798
C00463
5.40
118.0655
Indole_2
Indole
ME113439
798
C00463
6.27
118.0658
Indole_3
Indole
ME113440
798
C00463
14.45
118.0655
Indole-3-acetaldehyde_1
Indoleacetaldehyde
ME113442
800
C00637
5.60
160.0760
Indole-3-acetaldehyde_2
Indoleacetaldehyde
ME113443
800
C00637
6.27
160.0762
Indole-3-acetate_1
Indoleacetic acid
ME113444
802
C00954
8.47
176.0709
Indole-3-acetate_2
Indoleacetic acid
ME113445
802
C00954
5.56
176.0709
Indole_4
Indole
ME113441
798
C00463
6.67
118.0656
Indoleamine
-
ME113446
230280
C01819
1.01
133.0741
Indolelactate
Indolelactic acid
ME113447
92904
C02043
7.89
206.0810
Indospicine
Indospicine
ME113448
108010
C08288
5.20
174.1238
Ipazine
-
ME113449
15950
C19103
9.48
244.1310
Isodomedin
Isodomedin
ME113450
442045
C09115
8.57
393.2252
Isoquinoline_1
Isoquinoline
ME113451
8405
C06323
9.16
130.0655
Isoquinoline_2
Isoquinoline
ME113452
8405
C06323
6.26
130.0650
Isoquinoline_3
Isoquinoline
ME113453
8405
C06323
5.76
130.0656
Isovalerylcarnitine
CAR 4:0;3Me
ME113454
6426851
C20826
6.74
246.1697
(-)-Jolkinol A
-
ME113042
42608246
-
7.02
481.2602
Karwinaphthol B
Karwinaphthol B
ME113455
442522
C09942
12.61
289.1420
Ketoprofen
Ketoprofen
ME113456
3825
C01716
11.02
255.1031
L-2,4-Diaminobutanoate_1
2,4-Diaminobutyric acid
ME113457
134490
C03283
0.91
119.0835
L-2,4-Diaminobutanoate_2
2,4-Diaminobutyric acid
ME113458
134490
C03283
1.25
119.0835
L-2-Aminoadipate_1
alpha-Aminoadipic acid
ME113459
92136
C00956
1.03
162.0762
L-2-Aminoadipate_2
alpha-Aminoadipic acid
ME113460
92136
C00956
1.91
162.0760
L-Arginine
Arginine
ME113461
6322
C00062
0.81
175.1192
L-Asparagine_1
Asparagine
ME113462
6267
C00152
1.34
133.0611
L-Asparagine_2
Asparagine
ME113463
6267
C00152
0.81
133.0610
L-Aspartate 4-semialdehyde
Aspartate-semialdehyde
ME113464
439235
C00441
1.26
118.0513
Latia luciferin
Latia luciferin
ME113465
5280505
C02293
12.53
237.1847
L-Carnitine
Carnitine
ME113466
288
C00318
1.07
162.1127
L-Citrulline_1
Citrulline
ME113467
9750
C00327
1.30
176.1030
L-Citrulline_2
Citrulline
ME113468
9750
C00327
0.89
176.1030
L-Cysteate
Cysteic acid
ME113469
7140381
C00506
1.38
170.0125
Lemobiline
Lemobiline
ME113470
442917
C10705
10.91
244.1327
Leukotriene A4_1
LTA4
ME113471
5280383
C00909
10.04
319.2264
Leukotriene A4_2
LTA4
ME113472
5280383
C00909
11.76
319.2255
Levetiracetam
Levetiracetam
ME113473
5284583
C07841
5.83
171.1133
L-Glutamate_1
Glutamic acid
ME113474
33032
C00025
6.95
148.0621
L-Glutamate_2
Glutamic acid
ME113475
33032
C00025
0.87
148.0605
L-Glutamate_3
Glutamic acid
ME113476
33032
C00025
1.20
148.0607
L-Glutamine
Glutamine
ME113477
5961
C00064
0.81
147.0765
L-Histidine
Histidine
ME113478
6274
C00135
0.81
156.0770
L-Homocysteic acid
Homocysteic acid
ME113479
177491
C16511
2.30
184.0285
Lichenin_1
Lichenin
ME113480
439241
C00478
0.85
163.0600
Lichenin_2
Lichenin
ME113481
439241
C00478
3.11
163.0611
L-Iduronate 2-sulfate_1
L-Iduronate 2-sulfate
ME113482
439915
C03126
2.37
275.0069
L-Iduronate 2-sulfate_2
L-Iduronate 2-sulfate
ME113483
439915
C03126
1.36
275.0083
Linoleamide_1
Linoleamide
ME113484
6435901
-
13.74
280.2629
Linoleamide_2
Linoleamide
ME113485
6435901
-
11.28
280.2630
Linoleate_1
Linoleic acid
ME113486
5280450
C01595
14.65
281.2478
Linoleate_2
Linoleic acid
ME113487
5280450
C01595
12.29
281.2477
Linoleate_3
Linoleic acid
ME113488
5280450
C01595
11.59
281.2475
L-Kynurenine
Kynurenine
ME113489
161166
C00328
5.48
209.0922
L-Leucine_1
Leucine
ME113490
6106
C00123
2.72
132.1022
L-Leucine_2
Leucine
ME113491
6106
C00123
2.41
132.1022
L-Lysine
Lysine
ME113492
5962
C00047
0.70
147.1128
L-Methionine
Methionine
ME113493
6137
C00073
1.57
150.0586
L-Methionine S-oxide_1
Methionine sulfoxide
ME113494
158980
C02989
8.45
166.0525
L-Methionine S-oxide_2
Methionine sulfoxide
ME113495
158980
C02989
0.88
166.0533
L-Methionine S-oxide_3
Methionine sulfoxide
ME113496
158980
C02989
1.57
166.0539
L-Octanoylcarnitine
CAR 8:0
ME113497
11953814
C02838
9.01
288.2171
L-Olivosyl-oleandolide_1
L-Olivosyl-oleandolide
ME113498
443565
C11991
9.04
517.3014
L-Olivosyl-oleandolide_2
L-Olivosyl-oleandolide
ME113499
443565
C11991
9.86
517.3009
L-Ornithine
Ornithine
ME113500
6262
C00077
0.70
133.0974
Lovastatin
Lovastatin
ME113501
53232
C07074
9.24
405.2647
L-Palmitoylcarnitine
CAR 16:0
ME113502
11953816
C02990
13.86
400.3417
L-Phenylalanine
Phenylalanine
ME113503
6140
C00079
5.39
166.0866
L-Pipecolate_1
Pipecolic acid
ME113504
439227
C00408
1.32
130.0866
L-Pipecolate_2
Pipecolic acid
ME113505
439227
C00408
3.04
130.0866
L-Proline
Proline
ME113506
145742
C00148
0.96
116.0711
L-Serine
Serine
ME113507
5951
C00065
0.81
106.0503
L-Threonine_1
Threonine
ME113508
6288
C00188
1.07
120.0660
L-Threonine_2
Threonine
ME113509
6288
C00188
0.82
120.0660
L-Tryptophan
Tryptophan
ME113510
6305
C00078
6.27
205.0980
L-Tyrosine
Tyrosine
ME113511
6057
C00082
3.37
182.0814
L-Valine_1
Valine
ME113512
6287
C00183
1.26
118.0867
L-Valine_2
Valine
ME113513
6287
C00183
0.91
118.0867
Lycodine
Lycodine
ME113514
5462443
C09876
0.94
243.1838
Lythramine_1
Lythramine
ME113515
442864
C10604
9.88
480.2768
Lythramine_2
Lythramine
ME113516
442864
C10604
8.96
480.2764
Maculosin
Cyclo(Pro-Tyr)
ME113517
119404
C10605
6.32
261.1235
Magnoshinin
Magnoshinin
ME113518
135783
C10658
11.36
415.2127
Mandelonitrile
2-Hydroxy-2-phenylacetonitrile
ME113519
10758
C00561
7.42
134.0603
Mannitol
Mannitol
ME113520
6251
C00392
3.36
183.0849
Mansonone C
-
ME113521
21742
C10371
11.81
229.1221
Mebenil
-
ME113522
23466
C18913
1.37
212.1052
Mercury(2+)
-
ME113523
26623
C00703
0.79
202.9784
Metalaxyl
Metalaxyl
ME113524
42586
C10947
7.18
280.1536
Methohexital
Methohexital
ME113525
9034
C07844
6.70
263.1390
Methyl 2-diazoacetamidohexonate
Methyl 2-diazoacetamidohexonate
ME113526
439447
C01223
6.40
215.1257
Methyl acetyl ricinoleate
-
ME113527
5282107
C12280
13.78
355.2838
Methylimidazoleacetic acid_1
Methylimidazoleacetic acid
ME113529
75810
C05828
1.59
141.0661
Methylimidazoleacetic acid_2
Methylimidazoleacetic acid
ME113530
75810
C05828
1.07
141.0660
Methylimidazoleacetic acid_3
Methylimidazoleacetic acid
ME113531
75810
C05828
1.49
141.0661
Methyl methanesulfonate
Methyl methanesulfonate
ME113528
4156
C19181
0.68
111.0105
Metipranolol_1
Metipranolol
ME113532
31477
C07915
9.06
310.2020
Metipranolol_2
Metipranolol
ME113533
31477
C07915
8.69
310.2013
MG(16:0/0:0/0:0)[rac]
MG 16:0/0:0/0:0
ME113534
-
-
14.45
331.2849
Myriocin
Myriocin
ME113535
6438394
C19914
9.42
402.2862
N1-Methyl-2-pyridone-5-carboxamide_1
N1-Methyl-2-pyridone-5-carboxamide
ME113541
69698
C05842
5.13
153.0660
N1-Methyl-2-pyridone-5-carboxamide_2
N1-Methyl-2-pyridone-5-carboxamide
ME113542
69698
C05842
2.53
153.0639
N-(3,4-Dichlorophenyl)-malonamate
-
ME113536
176947
C04205
1.96
247.9859
N5-Phenyl-L-glutamine_1
-
ME113543
18603770
C20843
5.26
223.1063
N5-Phenyl-L-glutamine_2
-
ME113544
18603770
C20843
6.14
223.1079
N6-Acetyl-N6-hydroxy-L-lysine
N(6)-Acetyl-N(6)-hydroxy-lysine
ME113547
128888
C03955
6.27
205.1176
N6-(delta2-Isopentenyl)-adenine_1
N6-Isopentenyladenine
ME113545
92180
C04083
4.76
204.1234
N6-(delta2-Isopentenyl)-adenine_2
N6-Isopentenyladenine
ME113546
92180
C04083
4.16
204.1235
N(6)-[(Indol-3-yl)acetyl]-L-lysine
N(6)-[(Indol-3-yl)acetyl]-lysine
ME113537
161240
C04211
7.09
304.1667
N6-Methyl-L-lysine
N(6)-Methyllysine
ME113548
164795
C02728
0.81
161.1285
N-Acetyl-D-fucosamine
N-Acetyl-D-fucosamine
ME113549
11954186
C15480
6.27
206.1007
N-Acetyl-D-tryptophan
N-Acetyl-D-tryptophan
ME113550
439917
C03137
7.83
247.1084
N-Acetyl-L-glutamate 5-semialdehyde
N-Acetyl-glutamate 5-semialdehyde
ME113551
192878
C01250
1.24
174.0759
N-Acetyl-L-histidine
N-Acetylhistidine
ME113552
75619
C02997
1.21
198.0879
N-Acetyl-L-leucine_1
N-Acetylleucine
ME113553
75619
C02710
6.91
174.1130
N-Acetyl-L-leucine_2
N-Acetylleucine
ME113554
75619
C02710
7.13
174.1130
N-Acetyl-L-leucine_3
N-Acetylleucine
ME113555
75619
C02710
5.16
174.1127
N-Acetyl-L-leucine_4
N-Acetylleucine
ME113556
75619
C02710
2.88
174.1129
N-Acetyl-L-leucine_5
N-Acetylleucine
ME113557
75619
C02710
3.46
174.1127
N-Acetyl-L-leucine_6
N-Acetylleucine
ME113558
75619
C02710
1.95
174.1128
N-Acetyl-L-phenylalanine
N-Acetylphenylalanine
ME113559
74839
C03519
7.47
208.0966
N-Acetylmethionine
N-Acetylmethionine
ME113560
448580
C02712
6.07
192.0690
N-Acetylornithine_1
N-Acetylornithine
ME113561
439232
C00437
2.87
175.1078
N-Acetylornithine_2
N-Acetylornithine
ME113562
439232
C00437
1.09
175.1077
N-Amidino-L-glutamate_1
alpha-Guanidinoglutaric acid
ME113563
135313
C03140
1.97
190.0822
N-Amidino-L-glutamate_2
alpha-Guanidinoglutaric acid
ME113564
135313
C03140
6.26
190.0835
N-Carbamoylputrescine_1
N-Carbamoylputrescine
ME113565
502
C00436
2.71
132.1127
N-Carbamoylputrescine_2
N-Carbamoylputrescine
ME113566
502
C00436
2.60
132.1128
N-Cyclohexylformamide
N-Cyclohexylformamide
ME113567
13017
C11519
5.43
128.1075
N-Cyclopropylammeline
-
ME113568
6321196
C14148
7.43
168.0866
N-Dimethyl-2-aminoethylphosphonate_1
2-Dimethylaminoethylphosphonic acid
ME113569
97588
C05680
1.75
154.0615
N-Dimethyl-2-aminoethylphosphonate_2
2-Dimethylaminoethylphosphonic acid
ME113570
97588
C05680
5.55
154.0614
N-Ethylglycocyamine
N-Ethylglycocyamine
ME113571
439826
C02852
6.26
208.1161
N-Formimino-L-glutamate
Formiminoglutamic acid
ME113572
439233
C00439
1.08
175.0714
N-Formyl-4-amino-5-aminomethyl-2-methylpyrimidine
-
ME113573
597195
C19872
1.79
167.0931
N-Hydroxy-L-valine
N-Hydroxy-valine
ME113574
22859864
C20313
1.01
134.0812
Nicotianamine
(R,S,S)-Nicotianamine
ME113575
9882882
C05324
11.85
304.1495
Nicotinamide
Niacinamide
ME113576
936
C00153
1.78
123.0557
Nicotinate
Nicotinic acid
ME113577
938
C00253
1.54
124.0401
Nitrilacarb
-
ME113578
9570637
C18954
0.87
198.1236
N-linoleoyl taurine
N-Linoleoyl taurine
ME113579
52922081
-
6.37
388.2529
N-Methylhistamine
1-Methylhistamine
ME113580
-
C05127
0.81
126.1028
N-Methylpelletierine
Methylisopelletierine
ME113581
86786
C06184
5.31
156.1386
N-Monomethyl-2-aminoethylphosphonate
-
ME113582
281241
C05679
2.08
140.0472
N,N'-Diethylthiourea
-
ME113539
2735009
C19400
1.01
133.0800
N,N'-Diphenyl-p-phenylenediamine
-
ME113540
6319
C14501
13.02
261.1383
N-oleoyl glutamic acid_1
N-Oleoyl glutamic acid
ME113583
6913738
-
9.35
412.3049
N-oleoyl glutamic acid_2
N-Oleoyl glutamic acid
ME113584
6913738
-
11.60
412.3076
Nona-2,6-dienal_1
-
ME113585
643731
C08499
9.37
139.1118
Nona-2,6-dienal_2
-
ME113586
643731
C08499
8.88
139.1118
Nona-2,6-dienal_3
-
ME113587
643731
C08499
14.67
139.1118
Nordazepam
Nordazepam
ME113588
2997
C07486
4.39
271.0652
N-palmitoyl serine
N-Palmitoyl serine
ME113589
6453686
-
11.33
344.2789
N(pi)-Methyl-L-histidine
3-Methylhistidine
ME113538
64969
C01152
0.81
170.0926
N-stearoyl serine
N-Stearoyl serine
ME113590
6453688
-
12.52
372.3118
N-stearoyl tyrosine
N-Stearoyl tyrosine
ME113591
6710116
-
13.03
448.3431
Oblongolide_1
Oblongolide
ME113592
176630
C09519
13.08
221.1534
Oblongolide_2
Oblongolide
ME113593
176630
C09519
14.38
221.1536
Oblongolide_3
Oblongolide
ME113594
176630
C09519
14.77
221.1531
O-Butanoylcarnitine
CAR 4:0
ME113595
213144
C02862
6.11
232.1551
Octanoic acid
Caprylic acid
ME113596
379
C06423
7.22
145.1226
Octylamine
Octylamine
ME113597
8143
C01740
6.50
130.1592
O-Decanoyl-L-carnitine
CAR 10:0
ME113598
11953821
C03299
10.20
316.2481
O-hexanoyl-R-carnitine
CAR 6:0
ME113599
3246938
-
7.61
260.1864
O-Methylptelefolonium
O-Methylptelefolonium
ME113600
148759
C10732
12.42
317.1606
O-Propanoylcarnitine
CAR 3:0
ME113601
188824
C03017
5.50
218.1392
Otonecine_1
Otonecine
ME113602
5281740
C10356
1.73
186.1124
Otonecine_2
Otonecine
ME113603
5281740
C10356
3.57
186.1128
Otonecine_3
Otonecine
ME113604
5281740
C10356
1.84
186.1127
Otonecine_4
Otonecine
ME113605
5281740
C10356
3.76
186.1124
Otonecine_5
Otonecine
ME113606
5281740
C10356
7.07
186.1126
PA(15:1(9Z)/0:0)
PA 15:1(9Z)/0:0*
ME113607
-
-
16.23
395.2194
PA(17:2(9Z,12Z)/0:0)
PA 17:2(9Z,12Z)/0:0*
ME113608
-
-
12.25
421.2332
Paederoside
Paederoside
ME113609
442432
C09795
7.83
447.0939
Pantetheine
Pantetheine
ME113610
479
C00831
11.74
279.1382
Pantothenate
Pantothenic acid
ME113611
988
C00864
6.72
220.1163
p-Benzoquinone_1
Quinone
ME113612
4650
C00472
1.35
109.0292
p-Benzoquinone_2
Quinone
ME113613
4650
C00472
1.97
109.0291
PC(13:0/0:0)
LPC 13:0/0:0
ME113614
-
-
12.14
454.2940
PC(15:0/0:0)_1
LPC 15:0/0:0
ME113615
-
-
13.21
482.3244
PC(15:0/0:0)_2
LPC 15:0/0:0
ME113616
-
-
11.85
482.3248
PC(15:1(9Z)/0:0)
PC 15:1(9Z)/0:0
ME113617
-
-
12.34
480.3091
PC(16:0/0:0)
LPC 16:0/0:0
ME113618
460602
C04230
12.43
496.3383
PC(16:1(9E)/0:0)
PC 16:1(9E)/0:0*
ME113619
-
-
11.59
494.3247
PC(18:0/0:0)
LPC 18:0/0:0
ME113620
-
-
13.66
524.3694
PC(18:2(2E,4E)/0:0)
PC 18:2(2E,4E)/0:0*
ME113621
-
-
11.92
520.3377
PC(18:3(9Z,12Z,15Z)/0:0)_1
PC 18:3(9Z,12Z,15Z)/0:0*
ME113622
-
-
11.47
518.3237
PC(18:3(9Z,12Z,15Z)/0:0)_2
PC 18:3(9Z,12Z,15Z)/0:0*
ME113623
-
-
14.62
518.3229
PC(20:3(8Z,11Z,14Z)/0:0)
PC 20:3(8Z,11Z,14Z)/0:0*
ME113624
-
-
12.28
546.3566
PC(20:4(5Z,8Z,11Z,14Z)/0:0)
PC 20:4(5Z,8Z,11Z,14Z)/0:0*
ME113625
-
-
11.88
544.3410
PC(20:5(5Z,8Z,11Z,14Z,17Z)/0:0)
PC 20:5(5Z,8Z,11Z,14Z,17Z)/0:0*
ME113626
-
-
11.42
542.3232
PC(22:4(7Z,10Z,13Z,16Z)/0:0)
PC 22:4(7Z,10Z,13Z,16Z)/0:0*
ME113627
-
-
12.66
572.3692
PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)
PC 22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0*
ME113628
-
-
11.86
568.3379
PC(O-1:0/16:0)
PC O-1:0/16:0
ME113629
-
-
13.00
510.3567
PC(O-16:0/3:0)
PC O-16:0/3:0
ME113630
-
-
14.44
538.3853
PC(O-16:1(11Z)/2:0)
PC O-16:1(11Z)/2:0
ME113631
-
-
12.60
522.3570
PC(O-18:1(10E)/2:0)
PC O-18:1(10E)/2:0*
ME113632
-
-
13.76
550.3867
PC(O-18:2(9Z,12Z)/2:0)
PC O-18:2(9Z,12Z)/2:0*
ME113633
-
-
12.90
548.3712
PE(18:2(9Z,12Z)/0:0)
PE 18:2(9Z,12Z)/0:0*
ME113634
-
-
11.72
478.2929
PE(20:3(8Z,11Z,14Z)/0:0)
PE 20:3(8Z,11Z,14Z)/0:0*
ME113635
-
-
12.08
504.3092
PE(22:4(7Z,10Z,13Z,16Z)/0:0)
PE 22:4(7Z,10Z,13Z,16Z)/0:0*
ME113636
-
-
12.42
530.3244
PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)
PE 22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0*
ME113637
-
-
11.71
526.2937
Peganine_1
-
ME113638
72610
C10733
11.20
189.1036
Peganine_2
-
ME113639
72610
C10733
5.59
189.1026
Pentachloroethane
-
ME113640
6419
C19496
0.81
200.8596
Pentadecanoyl-EA_1
Pentadecanoyl-EA
ME113641
14455157
-
11.49
286.2744
Pentadecanoyl-EA_2
Pentadecanoyl-EA
ME113642
14455157
-
12.85
286.2743
PGH2-EA_1
PGH2-EA
ME113643
53477457
-
11.74
394.2953
PGH2-EA_2
PGH2-EA
ME113644
53477457
-
11.55
394.2940
Phenacetin
Phenacetin
ME113645
4754
C07591
5.08
180.1023
Phendimetrazine_1
Phendimetrazine
ME113646
30487
C07904
9.77
192.1386
Phendimetrazine_2
Phendimetrazine
ME113647
30487
C07904
6.01
192.1383
Phenmetrazine
Phenmetrazine
ME113648
4762
C07432
5.71
178.1230
Phensuximide_1
Phensuximide
ME113649
6839
C07437
9.16
190.0867
Phensuximide_2
Phensuximide
ME113650
6839
C07437
9.67
190.0869
Phensuximide_3
Phensuximide
ME113651
6839
C07437
5.40
190.0864
Phenylethyl alcohol_1
2-Phenylethanol
ME113652
6054
C05853
9.22
123.0810
Phenylethyl alcohol_2
2-Phenylethanol
ME113653
6054
C05853
5.27
123.0810
Phosphodimethylethanolamine
N,N-Dimethylethanolamine phosphate
ME113654
151438
C13482
11.59
170.0560
Phthalate
Phthalic acid
ME113655
1017
C01606
1.97
167.0338
Phytuberin
Phytuberin
ME113656
442387
C09709
11.35
295.1905
Pimelate
Pimelic acid
ME113657
385
C02656
5.60
161.0797
Pirbuterol
Pirbuterol
ME113658
4845
C07807
5.24
241.1555
Precocene II
Precocene II
ME113659
12565
C09018
12.71
221.1168
Pregnenolone acetate_1
-
ME113660
2723722
C14658
8.92
359.2581
Pregnenolone acetate_2
-
ME113661
2723722
C14658
9.14
359.2585
Prinomide
Prinomide
ME113662
60352
C10958
11.36
268.1095
Proclavaminic acid
Proclavaminic acid
ME113663
194953
C06658
1.62
203.1025
Promegestone_1
Promegestone
ME113664
36709
C14208
12.44
327.2316
Promegestone_2
Promegestone
ME113665
36709
C14208
13.82
327.2305
Prostaglandin H2_1
PGH2
ME113666
445049
C00427
9.22
353.2305
Prostaglandin H2_2
PGH2
ME113667
445049
C00427
8.56
353.2327
Pseudopelletierine
psi-Pelletierine
ME113670
11096
C10865
6.38
154.1230
PS(O-18:0/0:0)_1
PS O-18:0/0:0
ME113668
-
-
11.46
512.3371
PS(O-18:0/0:0)_2
PS O-18:0/0:0
ME113669
-
-
9.73
512.3365
Pulcherriminic acid
Pulcherriminic acid
ME113671
3083664
C20515
0.89
257.1478
Pyridoxal_1
Pyridoxal
ME113672
1050
C00250
8.93
168.0656
Pyridoxal_2
Pyridoxal
ME113673
1050
C00250
0.86
168.0655
Pyridoxal_3
Pyridoxal
ME113674
1050
C00250
2.01
168.0655
Pyridoxamine
Pyridoxamine
ME113675
1052
C00534
5.39
169.0952
Quassin
Quassin
ME113676
65571
C08778
15.32
389.1977
Quinoxaline-2-carboxylic acid
-
ME113677
96695
C18624
5.08
175.0482
(R)-3-((R)-3-Hydroxybutanoyloxy)butanoate
-
ME113064
5459971
C04546
6.26
191.0899
Rehmaionoside C
-
ME113678
11740990
C17452
7.46
389.2165
Retinal
Retinal
ME113679
638015
C00376
13.43
285.2208
Retinoate_1
Retinoic acid
ME113680
444795
C00777
12.04
301.2157
Retinoate_2
Retinoic acid
ME113681
444795
C00777
10.02
301.2171
Riboflavin
Riboflavin
ME113682
493570
C00255
6.62
377.1451
(S)-2,3,4,5-Tetrahydropyridine-2-carboxylate_1
(S)-1-Piperideine-6-carboxylic acid
ME113065
24771808
C00450
1.00
128.0710
(S)-2,3,4,5-Tetrahydropyridine-2-carboxylate_2
(S)-1-Piperideine-6-carboxylic acid
ME113066
24771808
C00450
2.23
128.0711
(S)-2-Hydroxypropylphosphonate
-
ME113067
25244355
C06452
1.34
141.0310
Saccharin sodium anhydrous
-
ME113683
656582
C12284
1.34
205.9874
S-Acetylthioethanolamine
-
ME113684
28643
C03537
5.39
120.0473
S-Allyl-L-cysteine
S-Allylcysteine
ME113685
9793905
C16759
3.12
162.0584
Sannamycin A_1
-
ME113686
156086
C17710
9.47
390.2708
Sannamycin A_2
-
ME113687
156086
C17710
10.06
390.2713
sarmentogenin
-
ME113688
6437
-
10.03
389.2677
(S)-ATPA_1
(S)-ATPA
ME113068
447407
C13733
5.88
229.1179
(S)-ATPA_2
(S)-ATPA
ME113069
447407
C13733
1.66
229.1183
Schizandrin C
-
ME113689
443027
C10893
14.19
385.1665
Serotonin
Serotonin
ME113690
5202
C00780
5.60
177.1025
(S)-Malate
Malic acid
ME113070
222656
C00149
2.34
135.0305
Sodium chlorate
-
ME113691
516902
C18765
0.76
106.9512
Spermidine
Spermidine
ME113692
1102
C00315
0.67
146.1655
Spermine
Spermine
ME113693
1103
C00750
0.70
203.2233
Sphinganine
Sphinganine
ME113694
91486
C00836
12.37
302.3044
Sphingosine_1
Sphingosine
ME113695
5280335
C00319
12.06
300.2900
Sphingosine 1-phosphate
Sphingosine 1-phosphate
ME113697
5283560
C06124
11.14
380.2562
Sphingosine_2
Sphingosine
ME113696
5280335
C00319
13.73
300.2899
SR95531
-
ME113698
107896
C13796
11.94
288.1346
Stearoylcarnitine_1
CAR 18:0
ME113699
52922056
-
14.05
428.3731
Stearoylcarnitine_2
CAR 18:0
ME113700
52922056
-
15.61
428.3744
Streptobiosamine
Streptobiosamine
ME113701
20056682
C07655
8.07
338.1450
Succinate_1
Succinic acid
ME113702
1110
C00042
0.90
119.0343
Succinate_2
Succinic acid
ME113703
1110
C00042
2.38
119.0345
Succinic anhydride_1
Succinic anhydride
ME113704
7922
C19524
0.90
101.0238
Succinic anhydride_2
Succinic anhydride
ME113705
7922
C19524
2.38
101.0240
Sulcatone
Sulcatone
ME113706
9862
C07287
7.22
127.1121
Sulfoglycolithocholic acid
Sulfoglycolithocholic acid
ME113707
72222
-
9.15
514.2836
Taurine_1
Taurine
ME113708
1123
C00245
0.82
126.0222
Taurine_2
Taurine
ME113709
1123
C00245
8.99
126.0218
Taurocholate_1
Taurocholic acid
ME113710
6675
C05122
8.92
516.2977
Taurocholate_2
Taurocholic acid
ME113711
6675
C05122
9.90
516.2977
Taurodeoxycholate_1
Taurodeoxycholic acid
ME113712
2733768
C05463
11.50
500.3052
Taurodeoxycholate_2
Taurodeoxycholic acid
ME113713
2733768
C05463
12.90
500.3055
Taxa-4(20),11(12)-dien-5alpha-yl acetate_1
-
ME113714
443486
C11896
14.51
331.2629
Taxa-4(20),11(12)-dien-5alpha-yl acetate_2
-
ME113715
443486
C11896
14.78
331.2628
Taxa-4(20),11(12)-dien-5alpha-yl acetate_3
-
ME113716
443486
C11896
13.06
331.2630
Terbufos
Terbufos
ME113717
25670
C18693
6.27
289.0497
Tetrahydropteridine
Tetrahydropteridine
ME113718
156
C05650
0.96
137.0810
Tetralin_1
Tetralin
ME113719
8404
C14114
2.72
133.0997
Tetralin_2
Tetralin
ME113720
8404
C14114
2.41
133.0998
Thiomorpholine 3-carboxylate
Thiomorpholine-3-carboxylic acid
ME113721
440159
C03901
1.48
148.0432
THTA
2-Tetrahydrothiopheneacetic acid
ME113722
443065
C11072
4.95
147.0478
THTC
Tetrahydrothiophene-2-carboxylic acid
ME113723
443066
C11074
2.29
133.0338
Thymine_1
Thymine
ME113724
1135
C00178
3.40
127.0505
Thymine_2
Thymine
ME113725
1135
C00178
5.46
127.0505
Timolol
Timolol
ME113726
33624
C07141
8.11
317.1633
Tolmetin
Tolmetin
ME113727
5509
C07149
0.87
258.1106
Tolmetin sodium
-
ME113728
23665411
C02328
0.86
280.0929
Tolylacetonitrile
-
ME113729
-
C02596
6.26
132.0815
Toxyl angelate_1
Toxyl angelate
ME113730
11953921
C08981
12.29
301.1432
Toxyl angelate_2
Toxyl angelate
ME113731
11953921
C08981
8.93
301.1438
trans-3,4-Dihydro-3,4-dihydroxy-7,12-dimethylbenz[...
-
ME113732
-
C19490
11.73
291.1364
trans-Cinnamate_1
trans-Cinnamic acid
ME113733
444539
C00423
8.45
149.0599
trans-Cinnamate_2
trans-Cinnamic acid
ME113734
444539
C00423
12.10
149.0598
Tridecanamide
Tridecanamide
ME113735
4167542
-
11.82
214.2167
Tris(butoxyethyl)phosphate
-
ME113736
6540
C14446
12.25
399.2493
Trp-P-1_1
-
ME113737
5284474
C19306
12.52
212.1199
Trp-P-1_R2
-
ME113738
5284474
C19306
7.29
212.1183
Tyramine_R1
Tyramine
ME113739
5610
C00483
5.91
138.0918
Tyramine_R2
Tyramine
ME113740
5610
C00483
5.59
138.0917
Uracil_R1
Uracil
ME113741
1174
C00106
4.39
113.0351
Uracil_R2
Uracil
ME113742
1174
C00106
1.53
113.0350
Uracil_R3
Uracil
ME113743
1174
C00106
2.88
113.0350
Urate
Uric acid
ME113744
1175
C00366
1.93
169.0358
Uridine_R1
Uridine
ME113745
6029
C00299
2.88
245.0769
Uridine_R2
Uridine
ME113746
6029
C00299
1.59
245.0772
Urocanate_R1
Urocanic acid
ME113747
1549103
C00785
1.74
139.0504
Urocanate_R2
Urocanic acid
ME113748
1549103
C00785
7.43
139.0519
Urocanate_R3
Urocanic acid
ME113749
1549103
C00785
2.07
139.0503
Urocanate_R4
Urocanic acid
ME113750
1549103
C00785
2.95
139.0504
Virol B
-
ME113751
10753985
C19994
11.45
263.2006
Vomitoxin
Vomitoxin
ME113752
442408
C09747
9.16
297.1326
Wyerone
Wyerone
ME113754
643733
C08465
8.60
259.0968
Xanomeline
Xanomeline
ME113755
60809
C11767
13.66
282.1630
Xestoaminol C_R1
Xestoaminol C
ME113756
14756407
-
11.38
230.2476
Xestoaminol C_R2
Xestoaminol C
ME113757
14756407
-
10.65
230.2477
Xylobiose
Xylobiose
ME113758
-
C01630
11.02
283.1010
Zearalenone
Zearalenone
ME113759
5281576
C09981
8.85
319.1550
Zeatin
trans-Zeatin
ME113760
449093
C00371
5.50
220.1179
Zingerone
Zingerone
ME113761
31211
C17497
11.95
195.1021
Zinnimidine_R1
Zinnimidine
ME113762
442878
C10626
13.04
262.1430
Zinnimidine_R2
Zinnimidine
ME113763
442878
C10626
10.74
262.1436
UCSD Metabolomics Workbench, a resource sponsored by the Common Fund of the National Institutes of Health
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