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Return to study ST002760 main page
Analysis: Reversed phase POSITIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
3-Hydroxyanthranilic acid
3-Hydroxyanthranilic acid
ME711920
86
C00632
-
-
Ureidopropionic acid
Ureidopropionic acid
ME712056
111
C02642
-
-
gamma-Aminobutyric acid
gamma-Aminobutyric acid
ME711900
119
C00334
-
-
5-Hydroxy-DL-tryptophan
5-Hydroxy-DL-tryptophan
ME712051
144
C01017
-
-
Adenine
Adenine
ME711840
190
C00147
-
-
Anthranilic acid
2-Aminobenzoic acid
ME712035
227
C00108
-
-
DL-Ornithine
Ornithine
ME712186
389
C01602
-
-
Hippuric acid
Hippuric acid
ME711826
464
C01586
-
-
4-Guanidinobutyric acid
4-Guanidinobutanoic acid
ME711889
500
C01035
-
-
Creatine
Creatine
ME711879
586
C00300
-
-
Creatinine
Creatinine
ME711822
588
C00791
-
-
Cytosine
Cytosine
ME711836
597
C00380
-
-
DL-Alanine
Alanine
ME711949
602
C01401
-
-
DL-Serine
Serine
ME711863
617
C00716
-
-
Desthiobiotin
Dethiobiotin
ME712424
643
C01909
-
-
DL-Glutamine
Glutamine
ME711908
738
C00303
-
-
Glutaric acid
Glutaric acid
ME712053
743
C00489
-
-
Guanine
Guanine
ME711988
764
C00242
-
-
Histamine
Histamine
ME711995
774
C00388
-
-
DL-Homocysteine
Homocysteine
ME712360
778
C05330
-
-
Hypoxanthine
Hypoxanthine
ME711809
790
C00262
-
-
Indole-3-acetic acid
Indoleacetic acid
ME711910
802
C00954
-
-
Pipecolic acid
Pipecolic acid
ME711830
849
-
-
-
Diaminopimelic acid
Diaminopimelic acid
ME712114
865
-
-
-
DL-Lysine
Lysine
ME711828
866
C16440
-
-
N-Acetylserotonin
N-Acetylserotonin
ME712258
903
C00978
-
-
Acetanilide
N-Acetylarylamine
ME711993
904
C02558
-
-
Methylhistamine
Methylhistamine
ME711983
912
-
-
-
N-Methylhistamine
1-Methylhistamine
ME711965
912
-
-
-
Nicotinamide
Niacinamide
ME711810
936
C00153
-
-
Phthalic acid
Phthalic acid
ME711815
1017
C01606
-
-
Pyridoxal 5'-phosphate
Pyridoxal 5'-phosphate
ME712038
1051
C00018
-
-
PYRIDOXAMINE
Pyridoxamine
ME712244
1052
C00534
-
-
Pyridoxamine 5'-phospate
-
ME712146
1053
C00647
-
-
spermidine
Spermidine
ME712340
1102
C00315
-
-
Taurine
Taurine
ME711918
1123
C00245
-
-
Thymine
Thymine
ME712093
1135
C00178
-
-
DL-Tryptophan
Tryptophan
ME711816
1148
C00806
-
-
Uracil
Uracil
ME711842
1174
C00106
-
-
Uric acid
Uric acid
ME711902
1175
C00366
-
-
Xanthine
Xanthine
ME711817
1188
C00385
-
-
3,4-Methylenedioxyamphetamine
3,4-Methylenedioxyamphetamine
ME712123
1614
-
-
-
5-Hydroxyindole-3-acetic acid
5-Hydroxyindoleacetic acid
ME712256
1826
C05635
-
-
HIAA
Hydroxyindoleacetic acid
ME711839
1826
C05635
-
-
N6-Me-Adenosine
N6-Methyladenosine
ME711946
1869
-
-
-
Theophylline
Theophylline
ME712378
2153
C07130
-
-
Azelaic acid
Azelaic acid
ME712061
2266
C08261
-
-
Veronal
5,5-Diethylbarbituric acid
ME712065
2294
-
-
-
Benzyl butyl phthalate
Benzyl butyl phthalate
ME712130
2347
C14211
-
-
Butabarbital
Butabarbital
ME712411
2479
-
-
-
Caffeine
Caffeine
ME711814
2519
C07481
-
-
Dicyclomine
-
ME712371
3042
C06951
-
-
Dimetridazole
-
ME712231
3090
-
-
-
Ketamine
Ketamine
ME711937
3821
-
-
-
Ketoprofen
Ketoprofen
ME712399
3825
C01716
-
-
meprobamate
Meprobamate
ME712073
4064
-
-
-
metharbital
Metharbital
ME712164
4099
-
-
-
methyprylon
Methyprylon
ME712398
4162
-
-
-
Nitrendipine
Nitrendipine
ME712293
4507
C07713
-
-
Papaverine
-
ME712236
4680
C06533
-
-
pentobarbital
Pentobarbital
ME712063
4737
-
-
-
Perazine
-
ME712060
4744
-
-
-
Phloretin
Phloretin
ME711940
4788
C00774
-
-
Piracetam
Piracetam
ME712400
4843
-
-
-
Rimantadine
Rimantadine
ME712275
5071
C07236
-
-
Sebacic acid
Sebacic acid
ME712169
5192
C08277
-
-
Tyramine
Tyramine
ME712361
5610
C00483
-
-
Corticosterone
Corticosterone
ME711970
5753
C02140
-
-
Thymidine
Thymidine
ME712309
5789
C00214
-
-
L-Hydroxyproline
-
ME711932
5810
C01157
-
-
L-(+)-Cysteine
Cysteine
ME712221
5862
C00097
-
-
D-Glucose 6-phosphate
Glucose 6-phosphate
ME712253
5958
C00092
-
-
L-(+)-Aspartic acid
Aspartic acid
ME711888
5960
C00049
-
-
L-Aspartic acid
Aspartic acid
ME711899
5960
C00049
-
-
Inosine
Inosine
ME711811
6021
C00294
-
-
Adenosine diphosphate (ADP)
-
ME711980
6022
C00008
-
-
L-Dopa
DOPA
ME712113
6047
C00355
-
-
L-Tyrosine
Tyrosine
ME711824
6057
C00082
-
-
Adenosine 3'5'-cyclic monophosphate
-
ME711935
6076
C00575
-
-
Adenosine 5'-monophosphate
AMP
ME711903
6083
C00020
-
-
L-(-)-Methionine
Methionine
ME711820
6137
C00073
-
-
L-Phenylalanine
Phenylalanine
ME711807
6140
C00079
-
-
mebutamate
-
ME712110
6151
-
-
-
Cytidine
Cytidine
ME711846
6175
C00475
-
-
L-Histidine
Histidine
ME711891
6274
C00135
-
-
L-(-)-Threonine
Threonine
ME711868
6288
C00188
-
-
L-Isoleucine
Isoleucine
ME711813
6306
C00407
-
-
L-(+)-Arginine
Arginine
ME711928
6322
C00062
-
-
D-PANTOTHENIC ACID
Pantothenic acid
ME711823
6613
C00864
-
-
Taurocholic acid
Taurocholic acid
ME712386
6675
-
-
-
NS1800000
-
ME712185
6723
C00847
-
-
Guanosine
Guanosine
ME711849
6802
C00387
-
-
6-Methylquinoline
6-Methylquinoline
ME712052
7059
-
-
-
2-Quinolinecarboxylic acid
Quinaldic acid
ME711906
7124
C06325
-
-
Propylparaben
Propylparaben
ME712274
7175
-
-
-
Butylparaben
Butylparaben
ME712178
7184
-
-
-
Acetophenone
Acetophenone
ME712346
7410
C07113
-
-
Cyclohexanecarboxylic acid
Cyclohexanecarboxylic acid
ME712017
7413
C09822
-
-
Carvone
Carvone
ME712100
7439
-
-
-
2-(Diethylamino)ethanol
-
ME711916
7497
-
-
-
N,N-Diethylethanolamine
-
ME711890
7497
-
-
-
MO4650000
-
ME712087
7823
C20334
-
-
Cyclohexylamine
Cyclohexylamine
ME711861
7965
C00571
-
-
Triphenyl phosphate
Triphenyl phosphate
ME712375
8289
C14235
-
-
Tris(2-chloroethyl) phosphate
-
ME712097
8295
C14445
-
-
Monobutyl phthalate
Monobutylphthalate
ME712162
8575
-
-
-
Inosine-5'-monophosphate (IMP)
IMP
ME711866
8582
C00130
-
-
2-Naphthol
2-Naphthol
ME711967
8663
C11713
-
-
Triethylene glycol monobutyl ether
-
ME711998
8923
-
-
-
D-(+)-Proline
D-Proline
ME711834
8988
C00763
-
-
3-Hydroxy-2,3-dihydropyrrolo[2,1-b]quinazolin-9(1H...
-
ME712143
10242
-
-
-
2-Hydroxyhippuric acid
Salicyluric acid
ME712088
10253
C07588
-
-
epsilon-Caprolactone
-
ME712246
10401
-
-
-
Suberic acid
Suberic acid
ME712009
10457
C08278
-
-
Octodrine
-
ME712105
10982
-
-
-
7-Methylguanine
7-Methylguanine
ME711901
11361
C02242
-
-
N-Acetyl-L-cysteine
N-Acetylcysteine
ME711927
12035
-
-
-
3,4-Dimethylbenzoic acid
3,4-Dimethylbenzoic acid
ME712194
12073
-
-
-
2-Phenylindole
-
ME711929
13698
-
-
-
3,5-di-tert-Butyl-4-hydroxybenzoic acid
-
ME712315
15007
-
-
-
PEG n6
-
ME712165
17472
-
-
-
CU8460000
-
ME712245
20525
-
-
-
Sulcatol
(R)-Sulcatol
ME712183
20745
C07288
-
-
3-Amino-2-naphthoic acid
-
ME712385
22244
-
-
-
Zalcitabine
Zalcitabine
ME711898
24066
C07207
-
-
L-Glutamic acid
Glutamic acid
ME711904
33032
C00025
-
-
Oxcarbazepine
Oxcarbazepine
ME712337
34312
C07492
-
-
Nadolol
Nadolol
ME712077
39147
-
-
-
ISOXYL
-
ME711825
41648
C18432
-
-
Metalaxyl
Metalaxyl
ME712317
42586
C10947
-
-
clomazone
-
ME712036
54778
C11095
-
-
Adenosine
Adenosine
ME711803
60961
C00212
-
-
PEG n5
Pentaethylene glycol
ME712234
62551
-
-
-
5-Methylcytosine
5-Methylcytosine
ME711972
65040
C02376
-
-
2'-Deoxyinosine
Deoxyinosine
ME712381
65058
C05512
-
-
Cysteinylglycine
Cys-Gly
ME712166
65270
-
-
-
L-Glutathione oxidized
Glutathione
ME711838
65359
C00127
-
-
L-Cystine
Cystine
ME712010
67678
C00491
-
-
Phenylacetylglycine
Phenylacetylglycine
ME711851
68144
C05598
-
-
Hexadecanamide
Palmitamide
ME712306
69421
-
-
-
Acetylhistamine
N-Acetylhistamine
ME711961
69602
C05135
-
-
N-Acetylhistamine
N-Acetylhistamine
ME711986
69602
C05135
-
-
L-Tyrosine methyl ester
Methyl tyrosinate
ME712229
70652
C03404
-
-
N-Acetyl-L-leucine
N-Acetylleucine
ME712260
70912
C02710
-
-
D-Serine
D-Serine
ME711913
71077
C00740
-
-
2-Aminonicotinic acid
2-Aminonicotinic acid
ME711892
72930
-
-
-
Methyl indole-3-acetate
Indole-3-methyl acetate
ME712187
74706
C20635
-
-
Decanamide
Decanamide
ME712215
75347
-
-
-
2,2,6,6-Tetramethyl-4-piperidinol
-
ME712027
75471
-
-
-
1-Methylimidazoleacetic acid
-
ME712018
75810
C05828
-
-
PEG n8
-
ME712068
78798
-
-
-
1,3,7-Trimethyluric acid
1,3,7-Trimethyluric acid
ME712270
79437
C16361
-
-
PEG n7
-
ME712092
79718
-
-
-
Dihydroxycarbazepine
-
ME712223
83852
C07495
-
-
Capryloylglycine
Capryloylglycine
ME712316
84290
-
-
-
UV9702000
-
ME712175
88747
-
-
-
Fenfuram
-
ME712412
90590
C18833
-
-
N-Phenylacetylglutamine
-
ME712403
92258
C04148
-
-
Ne-Acetyllysine
N6-Acetyllysine
ME712002
92832
C02727
-
-
Glycyl-L-leucine
Gly-Leu
ME712037
92843
C02155
-
-
Indole-3-lactic acid
Indole-3-lactic acid
ME712426
92904
C02043
-
-
Dihydrothymine
Dihydrothymine
ME711880
93556
C00906
-
-
Lactamide
Lactamide
ME711984
94220
-
-
-
6-Methylnicotinamide
-
ME711860
96351
-
-
-
Cyclo(phenylalanyl-prolyl)
-
ME712104
99895
-
-
-
Acetylarginine
N-Acetylarginine
ME711896
102807
-
-
-
11-Nor-9-carboxy-thc
-
ME712031
107885
-
-
-
Norketamine
-
ME712219
123767
-
-
-
Cyclic ADP-ribose
Cyclic ADP-ribose
ME712207
123847
C13050
-
-
Methotrexate
Methotrexate
ME712294
126941
C01937
-
-
D-Panthenol
Pantothenol
ME712314
131204
C05944
-
-
Proline
Proline
ME712140
145742
C00148
-
-
Guvacoline
Guvacoline
ME712247
160492
C16821
-
-
L-Kynurenine
Kynurenine
ME711853
161166
C00328
-
-
Kanosamine
-
ME711805
164683
-
-
-
Basic Violet 1
-
ME712322
164877
-
-
-
3-Methylcrotonylglycine
3-Methylcrotonylglycine
ME712208
169485
-
-
-
N-Acetylvaline
N-Acetylvaline
ME712131
227752
-
-
-
2-Amino-3-methoxybenzoic acid
3-Methoxyanthranilic acid
ME712057
255720
C05831
-
-
N-Acetylnorvaline
-
ME711999
306106
-
-
-
2-Oxindole
Indolin-2-one
ME712214
321710
C12312
-
-
Oxindole
Indolin-2-one
ME712280
321710
C12312
-
-
3-Indoleacetonitrile
3-Indoleacetonitrile
ME712259
351795
C02938
-
-
1-Methylhistidine
1-Methylhistidine
ME711878
352019
-
-
-
S-Adenosylhomocysteine
S-Adenosylhomocysteine
ME711821
439155
C00021
-
-
L(-)-Pipecolinic acid
-
ME711831
439227
C00408
-
-
D-(+)-Pyroglutamic Acid
-
ME711855
439685
C02237
-
-
fMet
N-Formylmethionine
ME712368
439750
C03145
-
-
5-methyldeoxycytidine
5-Methyldeoxycytidine
ME712070
440055
C03592
-
-
Palmitoleic acid
Palmitoleic acid
ME712307
445638
C08362
-
-
3-Methylhistidine
3-Methylhistidine
ME711930
565965
-
-
-
Crotonic acid
Crotonic acid
ME712000
637090
C01771
-
-
Sorbic acid
Sorbic acid
ME712416
643460
-
-
-
FAD
FAD
ME712167
643975
-
-
-
Flavin mononucleotide (FMN)
FMN
ME712228
643976
C00061
-
-
Crotamiton
Crotamiton
ME712171
688020
-
-
-
D-(+)-Pipecolinic acid
Pipecolic acid
ME711818
736316
-
-
-
Urocanic acid
Urocanic acid
ME711969
736715
C00785
-
-
tert-Butyl N-[1-(aminocarbonyl)-3-methylbutyl]carb...
-
ME711953
2818159
-
-
-
5-(4-Fluorophenyl)-2,3,5,6-tetrahydroimidazo[2,1-a...
-
ME711894
2818477
-
-
-
PENTOTHAL
-
ME712103
3000715
C07521
-
-
Leucylproline
Leu-Pro
ME711922
3977067
-
-
-
Prostaglandin J2
PGJ2
ME712034
5280884
-
-
-
Shogaol
-
ME712248
5281794
C10494
-
-
trans-3-Hexenoic acid
-
ME711865
5282708
-
-
-
Oleamide
Oleamide
ME712028
5283387
C19670
-
-
Levetiracetam
Levetiracetam
ME712379
5284583
-
-
-
(R)-3-Hydroxy myristic acid
-
ME712353
5288266
-
-
-
Pholcodine
-
ME711955
5311356
-
-
-
10-HDA
-
ME712431
5312738
-
-
-
Indirubin
-
ME712216
5318433
-
-
-
Andrographolide
-
ME712408
5318517
C20214
-
-
Bialaphos
-
ME712144
5462314
C06457
-
-
4-hydroperoxy 2-Nonenal
-
ME711950
6435432
-
-
-
Docosahexaenoic acid ethyl ester
-
ME712321
9831416
C16185
-
-
PPG n5
-
ME712192
9836244
-
-
-
Bis(4-ethylbenzylidene)sorbitol
-
ME712212
9866479
-
-
-
SSR161421
-
ME712227
10201497
-
-
-
1,4a-Dimethyl-6-methylene-5-[2-(2-oxo-2,5-dihydro-...
-
ME712344
14806212
-
-
-
(1S,4aR,5S)-5-[(3E)-5-Methoxy-3-methyl-5-oxo-3-pen...
-
ME712014
23928101
-
-
-
1-(4-Benzyl-1-piperazinyl)-2-[(3R,4S)-3-{[5-(cyclo...
-
ME712338
26743244
-
-
-
N-{(1S,2S,8S,8aS)-8-Hydroxy-1,4a-dimethyl-7-[(2S)-...
-
ME712199
45361679
-
-
-
(2S)-N-[(2S)-1-Amino-3-cyclohexyl-1-oxo-2-propanyl...
-
ME712193
45361701
-
-
-
Methylone
-
ME711985
45789647
C20126
-
-
IN00458
-
ME712237
54682930
C20414
-
-
2-Hydroxy-4,5',8a'-trimethyl-1'-oxo-4-vinyloctahyd...
-
ME712383
57509504
-
-
-
3,14-dihydro-15-keto-tetranor Prostaglandin E2
-
ME712422
71684706
-
-
-
Bis(methylbenzylidene)sorbitol
-
ME711914
90474944
-
-
-
10-oxo-8-decenoic acid
-
ME712142
-
-
-
-
1,1,6-Trimethyl-1,2-dihydronaphthalene
-
ME712139
-
-
-
-
11-Aminoundecanoic acid
11-Aminoundecanoic acid
ME712376
-
-
-
-
1,2-Benzoquinone
-
ME712174
-
-
-
-
1,2-Cyclohexadione
-
ME712117
-
-
-
-
1,3,7-Octanetriol
1,3,7-Octanetriol
ME711837
-
-
-
-
1-(3a-Hydroxy-5-methoxy-3,3a,8,8a-tetrahydropyrrol...
-
ME712089
-
-
-
-
1,3-Dipropylxanthine
-
ME712083
-
-
-
-
1,4a-dimethyl-9-oxo-7-(propan-2-yl)-1,2,3,4,4a,9,1...
-
ME712404
-
-
-
-
1-(4-Amino-4-carboxybutanoyl)-2-piperidinecarboxyl...
-
ME712118
-
-
-
-
1-(4-Amino-4-deoxy-beta-D-glucopyranuronosyl)-4-im...
-
ME711812
-
-
-
-
1-(4-Hydroxyphenyl)-1-decene-3,5-dione
-
ME712295
-
-
-
-
16alpha,19-Dihydroxy-4-androstene-3,17-dione
-
ME712373
-
-
-
-
1,7-Dihydroxy-12-methyl-13-vinyl-2,10-dioxatetracy...
-
ME712277
-
-
-
-
1,7-Dihydroxy-6,6-dimethyl-3,5,5a,6,7,8,9a,9b-octa...
-
ME712311
-
-
-
-
1-(beta-D-Ribofuranosyl)-1,2-dihydropyrimidine
-
ME712224
-
-
-
-
1-(beta-D-ribofuranosyl)thymine
Ribothymidine
ME711867
-
-
-
-
1-Deoxynojirimycin
-
ME712150
-
-
-
-
1-Hexadecanoylpyrrolidine
-
ME712188
-
-
-
-
1-Isopropenyl-3-isopropylbenzene
-
ME712184
-
-
-
-
1-Methylimidazole-4-acetaldehyde
-
ME712033
-
-
-
-
1-Pentofuranosyl-2,4(1H,3H)-pyrimidinedione
-
ME711850
-
-
-
-
1-Piperideine
1-Piperideine
ME712133
-
-
-
-
(1R,9R)-N-(4-Fluorophenyl)-5-[(3-methoxypropanoyl)...
-
ME712332
-
-
-
-
(1S)-1-Carboxy-2-(1H-imidazol-4-yl)-N,N,N-trimethy...
-
ME712205
-
-
-
-
(1S)-1-Carboxy-N,N,N-trimethyl-2-(2-thioxo-2,3-dih...
-
ME712263
-
-
-
-
(1S,2S)-1-(4-Methoxyphenyl)-1,2-propanediol
-
ME712401
-
-
-
-
(1S,4S,5R,9R,13S)-5,9-dimethyl-14-methylidenetetra...
-
ME712153
-
-
-
-
(1Z)-N-[3-Hydroxy-2-(octanoyloxy)propyl]octanimidi...
-
ME711886
-
-
-
-
20-Dihydro 6a-methylprednisone
-
ME712252
-
-
-
-
2-(1-Carboxyethyl)-5-methylcyclopentanecarboxylic ...
-
ME712273
-
-
-
-
2-(1H-indol-3-yl)acetic acid
Indoleacetic acid
ME712390
-
-
-
-
2-(2-amino-3-methylbutanamido)-3-phenylpropanoic a...
-
ME712230
-
-
-
-
2,2'-Iminodipropan-1-ol
-
ME711862
-
-
-
-
2,3-Bis(octanoyloxy)propanimidic acid
-
ME712196
-
-
-
-
240I539PWQ
-
ME712025
-
-
-
-
2,4,6-Octatriyn-1-ol
-
ME711873
-
-
-
-
2,4-Diacetamido-2,4,6-trideoxy-alpha-D-mannopyrano...
2,4-Diacetamido-2,4,6-trideoxy-alpha-mannose
ME711997
-
-
-
-
2',4-Dihydroxychalcone
-
ME712141
-
-
-
-
2,4-Dimethyladipic acid
-
ME712254
-
-
-
-
2,5-Dimethyl-4-ethoxy-3(2H)-furanone
-
ME712310
-
-
-
-
(2,7-Dimethyloctahydro-1H-cyclopenta[c]pyridin-4-y...
-
ME712372
-
-
-
-
2-Acetamidooctanoic acid
N-Acetyl-2-aminooctanoic acid
ME712182
-
-
-
-
2-Acetyl-4-methylpyridine
-
ME711872
-
-
-
-
2-Amino-6-({[2,3,4-trihydroxy-5-(hydroxymethyl)tet...
-
ME712050
-
-
-
-
2-Amino-9,10-epoxy-8-oxodecanoic acid
2-Amino-9,10-epoxy-8-oxodecanoic acid
ME712320
-
-
-
-
2-Decylfuran
-
ME712300
-
-
-
-
2'-Deoxycytidine
Deoxycytidine
ME711857
-
-
-
-
2-deoxy-D-gluconic acid
-
ME712132
-
-
-
-
2-(Diethoxymethyl)furan
-
ME712099
-
-
-
-
(2E)-3-(3-Hydroxyphenyl)acrylaldehyde
-
ME711808
-
-
-
-
(2E,4E)-1-[(2R,6S,14S,22S,25R)-25-(3,3-dimethyloxi...
-
ME712262
-
-
-
-
(2E,4E,7E)-2,4,7-Decatrienoic acid
-
ME712374
-
-
-
-
(2E,6Z)-N-Cyclopropyl-2,6-nonadienamide
-
ME712362
-
-
-
-
(2E,6Z)-Nona-2,6-dienal
-
ME712202
-
-
-
-
2-Furoic acid
2-Furoic acid
ME712226
-
C01546
-
-
2-hydroxyhepta-2,4-dienedioic acid
-
ME712384
-
-
-
-
2-Hydroxy-N-(2-hydroxyethyl)propionamide
-
ME712255
-
-
-
-
2-hydroxysebacic acid
-
ME712158
-
-
-
-
2-Isobutyl-3-methylpyrazine
-
ME712336
-
-
-
-
2-Methyl-3-thioacetoxy-4,5-dihydrofuran
-
ME711841
-
-
-
-
2-Methylthiazolidine
2-Methylthiazolidine
ME711938
-
-
-
-
2-Pentyl-1,3-thiazolidine
-
ME712265
-
-
-
-
2-Phenylethyl D-glucopyranoside
-
ME712198
-
-
-
-
(2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2...
-
ME711915
-
-
-
-
(2R,3S)-2,3-Dihydroxy-4-iminobutyl dihydrogen phos...
-
ME712233
-
-
-
-
(2S)-2-Amino-4-hexynoic acid
-
ME712084
-
-
-
-
(2S)-3-Hydroxy-2-({[(3S,4S,5R)-2,3,4-trihydroxy-5-...
-
ME712155
-
-
-
-
(2S)-4-Acetamido-2-aminobutanoic acid
-
ME711947
-
-
-
-
(2S,4S)-4-Amino-2-hydroxy-2-methylpentanedioic aci...
(2S,4S)-4-Amino-2-hydroxy-2-methylpentanedioic acid
ME712122
-
-
-
-
(2S,8R)-8-hydroxy-2-[(1S)-1-hydroxyheptyl]-3,4,5,6...
-
ME712134
-
-
-
-
2-(tert-butyl)-1,3-thiazolane-4-carboxylic acid
-
ME711971
-
-
-
-
(2Z,12Z)-2,12-Tetradecadiene-4,6,8,10-tetrayne
-
ME711978
-
-
-
-
(2Z)-2-Nonenoic acid
-
ME712041
-
-
-
-
(2Z,4E)-2,4-Hexadienedial
-
ME712356
-
-
-
-
(2Z,4Z,6Z)-2,4,6-Nonatrienal
-
ME712318
-
-
-
-
3-[(1S)-4-Oxo-2-cyclohexen-1-yl]-L-alanine
-
ME712190
-
-
-
-
3-[(1S,4R)-4-Hydroxy-2-cyclohexen-1-yl]-L-alanine
-
ME712278
-
-
-
-
3-[2-(3-Hydroxyphenyl)ethyl]-2,5-dimethoxyphenol
-
ME712345
-
-
-
-
3-[3,4-Dihydroxy-2-(hydroxymethyl)-1-pyrrolidinyl]...
-
ME711948
-
-
-
-
3-(3,4-dihydroxyphenyl)propanoic acid
3,4-Dihydroxyhydrocinnamic acid
ME711819
-
-
-
-
3-(3,5-Dimethoxyphenyl)propanoic acid
-
ME712288
-
-
-
-
3-(3-methylthio)propylmalic acid
-
ME712396
-
-
-
-
3,4-dehydrothiomorpholine-3-carboxylic acid
-
ME711911
-
-
-
-
3,4-Dihydroxy-5-(3-methyl-2-buten-1-yl)-2-(4-methy...
-
ME712413
-
-
-
-
3-[(4-hydroxyphenyl)methyl]-octahydropyrrolo[1,2-a...
-
ME712075
-
-
-
-
3,4-Methylenesebacic acid
-
ME712335
-
-
-
-
3-amino-2-phenyl-2H-pyrazolo[4,3-c]pyridine-4,6-di...
-
ME711852
-
-
-
-
3-Amino-4,7-dihydroxy-8-methylcoumarin
3-Amino-4,7-dihydroxy-8-methylcoumarin
ME712432
-
-
-
-
(3aS,4R,6aR)-2-Oxohexahydro-1H-thieno[3,4-d]imidaz...
-
ME711921
-
-
-
-
3beta,21-Dihydroxy-4,4,14-trimethyl-5alpha-pregn-8...
-
ME711990
-
-
-
-
(3E)-2,5-Dioxo-3-hexenal
-
ME712080
-
-
-
-
3-Hydroxy-2-oxobutanoic acid
-
ME711897
-
-
-
-
3-Hydroxy-3-methyl-2,3-dihydro[1,3]thiazolo[3,2-a]...
-
ME712043
-
-
-
-
3-Indoleacetamide
1H-Indole-3-acetamide
ME712120
-
-
-
-
3-Isopropenylpentanedioic acid
-
ME712407
-
-
-
-
3-Mercaptohexanol
-
ME712152
-
-
-
-
3-Methoxy-4-hydroxyphenylglycol glucuronide
-
ME711960
-
-
-
-
3-Methylcytosine
-
ME712011
-
-
-
-
3-(Methylthio)hexyl hexanoate
-
ME712261
-
-
-
-
3-oxo-C12-HSL
-
ME712324
-
-
-
-
3-(propan-2-yl)-octahydropyrrolo[1,2-a]pyrazine-1,...
-
ME712111
-
-
-
-
(3S,6S)-3-(Hydroxymethyl)-6-{4-[(3-methyl-2-buten-...
-
ME712425
-
-
-
-
3-Thiomorpholinecarboxylic acid
Thiomorpholine-3-carboxylic acid
ME711871
-
-
-
-
3-Tropanol
-
ME712327
-
-
-
-
(3Z,6E)-N-Hydroxy-2,4,4,7-tetramethyl-6,8-nonadien...
-
ME711958
-
-
-
-
4-{[(1R,2R)-2-{[4-(1,2-Benzothiazol-3-yl)-1-pipera...
-
ME712303
-
-
-
-
4-[(3-Acetamidopropyl)amino]butanoic acid
N-Acetylisoputreanine
ME711923
-
-
-
-
4-(5-Hydroxy-2-methyl-2-azabicyclo[2.2.2]oct-5-yl)...
-
ME712409
-
-
-
-
4,6,9-Trimethyl-3,5,8,10-tetraoxadodecane
-
ME712388
-
-
-
-
(4aS,5R,6S,8aS)-5-[(3E)-5-methoxy-3-methyl-5-oxope...
-
ME712325
-
-
-
-
(4E,6E)-4,6-Tetradecadiene-8,10,12-triyn-1-yl acet...
-
ME712243
-
-
-
-
4-Ethyl-2-hydroxy-3-methyl-2-cyclopenten-1-one
-
ME712267
-
-
-
-
4-Hydroxy-5-methylfuran-3(2H)-one
Norfuraneol
ME712074
-
-
-
-
4-(Hydroxymethyl)-6,7a-dihydro-1H-spiro[cyclopenta...
-
ME712349
-
-
-
-
4-Hydroxyprolylleucine
-
ME712160
-
-
-
-
4-Hydroxyprolylproline
-
ME711905
-
-
-
-
4-O-(a-D-Glucopyranosyl) moranoline
-
ME712415
-
-
-
-
4-Oxocyclohexanecarboxylic acid
-
ME712241
-
-
-
-
4'-Phosphopantetheine
-
ME712323
-
-
-
-
(4R)-5-Hydroxy-L-leucine
-
ME711844
-
-
-
-
4-Vinylcyclohexene
-
ME712081
-
-
-
-
(4Z)-4-Methyl-6-(3-methyl-1,4-dioxo-1,4-dihydro-2-...
-
ME712406
-
-
-
-
5-{4-[2-(Methylamino)ethoxy]benzyl}-1,3-thiazolidi...
-
ME712358
-
-
-
-
5,6-Dihydrothymidine
5,6-Dihydrothymidine
ME712129
-
-
-
-
5-(6-hydroxy-6-methyloctyl)-2,5-dihydrofuran-2-one
-
ME711968
-
-
-
-
5-Acetyl-2,4-dimethylthiazole
-
ME712393
-
-
-
-
(5-Benzyl-3,6-dioxo-2-piperazinyl)acetic acid
-
ME712148
-
-
-
-
5-BETA-D-RIBOFURANOSYLPICOLINAMIDE ADENINE-DINUCLE...
-
ME711887
-
-
-
-
5-Butyloxazole
-
ME711924
-
-
-
-
(5E)-7-methylidene-10-oxo-4-(propan-2-yl)undec-5-e...
-
ME712330
-
-
-
-
5-Ethyl-4-hydroxy-3(2H)-furanone
-
ME712126
-
-
-
-
5-Heptyl-2-oxotetrahydro-3-furancarboxylic acid
-
ME712127
-
-
-
-
5-Hydantoinpropionic acid
-
ME712021
-
-
-
-
5-Methyl-2-octyl-3(2H)-furanone
-
ME711859
-
-
-
-
5-(N,N-Dimethylcarbamimidamido)-2-oxopentanoic aci...
-
ME712135
-
-
-
-
5-Oxonorleucine
-
ME711992
-
-
-
-
(5R)-2-(3,4-Dihydroxyphenyl)-N-{3-[(3-{(Z)-[(2,3-d...
-
ME712279
-
-
-
-
(5S)-5-(D-Galactopyranosyloxy)-L-lysine
-
ME711941
-
-
-
-
6,15-diketo-13,14-dihydro Prostaglandin F1a
-
ME712402
-
-
-
-
6-(1H-Pyrrol-1-yl)norleucine
-
ME712319
-
-
-
-
6,6-dimethyl-4-piperidino-5,6-dihydro-2H-thiine-2-...
-
ME711931
-
-
-
-
6-APA
-
ME712264
-
-
-
-
6-hydroxy-4a-(hydroxymethyl)-5-methyl-3-(prop-1-en...
-
ME712342
-
-
-
-
6-Ketoprostaglandin F1a
6-Keto-PGF1alpha
ME712054
-
-
-
-
6-Oxo-pipecolinic acid
-
ME711952
-
-
-
-
(6Z)-6-Tetradecene-1,3-diyne-5,8-diol
-
ME712350
-
-
-
-
7-(2-hydroxypropan-2-yl)-1,4a-dimethyl-1,2,3,4,4a,...
-
ME712026
-
-
-
-
7-Mercaptoheptanoylthreonine
-
ME712397
-
-
-
-
7-Octene-3,5-diyn-1-ol
-
ME712008
-
-
-
-
8-Amino-7-oxononanoic acid
8-Amino-7-oxononanoic acid
ME712145
-
-
-
-
8-Azabicyclo[3.2.1]octane-1,2,7-triol
-
ME712232
-
-
-
-
8-Hydroxy-2-quinolinyl beta-D-glucopyranosiduronic...
-
ME712382
-
-
-
-
8-Hydroxy-5,6-octadienoic acid
-
ME712085
-
-
-
-
8-(Methylsulfinyl)octyl isothiocyanate
-
ME712218
-
-
-
-
9-Anthroic acid
-
ME711847
-
-
-
-
9-(beta-D-Arabinofuranosyl)-2-imino-3,7,8,9-tetrah...
-
ME711804
-
-
-
-
a-Aspartylphenylalanine
Asp-Phe
ME712220
-
-
-
-
ACETYL PROLINE
-
ME711981
-
-
-
-
Adenylsuccinic acid
Adenylsuccinic acid
ME712046
-
-
-
-
ala-met
Ala-Met
ME712055
-
-
-
-
ALA-PRO
Ala-Pro
ME712045
-
-
-
-
Ala-Tyr
Ala-Tyr
ME712086
-
-
-
-
Alitame anhydrous
-
ME712377
-
-
-
-
Alovudine
-
ME711994
-
-
-
-
.alpha.-Apocholic acid
-
ME712364
-
-
-
-
anthramycin
-
ME712355
-
-
-
-
APM
-
ME712040
-
-
-
-
apronalide
-
ME712421
-
-
-
-
Arg-Arg
Arg-Arg
ME712352
-
-
-
-
ascopyrone M
-
ME711806
-
-
-
-
asn-leu
Asn-Leu
ME712200
-
-
-
-
asn-phe
Asn-Phe
ME712297
-
-
-
-
asp-leu
Asp-Leu
ME711959
-
-
-
-
b-Angelica lactone
-
ME712066
-
-
-
-
Benzaldehyde
Benzaldehyde
ME712137
-
-
-
-
Benzil
-
ME712156
-
-
-
-
Benzoxazolone
2-Benzoxazolol
ME711848
-
-
-
-
Bethanidine
-
ME712304
-
-
-
-
Boc-Asn-Oh
-
ME711877
-
-
-
-
Boc-Asn-ONp
-
ME712203
-
-
-
-
Bolandione
-
ME712392
-
-
-
-
Butyl isothiocyanate
-
ME712251
-
-
-
-
C8-HSL
-
ME712334
-
-
-
-
cambendazole
-
ME712049
-
-
-
-
Carboprost Methyl
-
ME711956
-
-
-
-
Cefuroxime pivoxetil
-
ME711977
-
-
-
-
Cervonoyl ethanolamide
Dihomo-gamma-linolenoyl-EA
ME712048
-
-
-
-
cipamfylline
-
ME712269
-
-
-
-
cis-5,6-dihydroxy-4-isopropylcyclohexa-1,3-dieneca...
-
ME712222
-
-
-
-
cis-acetylacrylic acid
-
ME712197
-
-
-
-
Clavamycin E
-
ME711942
-
-
-
-
Codonopsine
Codonopsine
ME712405
-
-
-
-
Coproporphyrin III
Coproporphyrin III
ME711919
-
-
-
-
Cromakalim
-
ME712394
-
-
-
-
Crotanecine
Crotanecine
ME712195
-
-
-
-
cuscohygrine
Cuscohygrine
ME712284
-
-
-
-
CY9070000
-
ME712387
-
-
-
-
Cyclopamine
Cyclopamine
ME711874
-
-
-
-
CYCLO(-SER-TYR)
Cyclo(Ser-Tyr)
ME712107
-
-
-
-
Cyprodenate
-
ME711858
-
-
-
-
Cys-pro
Cys-Pro
ME711833
-
-
-
-
Cystathionine ketimine
Cystathionine ketimine
ME712016
-
-
-
-
cystine
Cystine
ME711917
-
-
-
-
dacisteine
-
ME712019
-
-
-
-
Dicyclohexylamine
N,N-Dicyclohexylamine
ME712170
-
-
-
-
Diethanolamine
Diethanolamine
ME711832
-
-
-
-
DL-2-(acetylamino)-3-phenylpropanoic acid
-
ME712370
-
-
-
-
DL-a-Aminocaprylic acid
-
ME712163
-
-
-
-
DL-Ala-DL-Phe
-
ME712151
-
-
-
-
DL-Cerulenin
-
ME712423
-
-
-
-
DL-Glutamic acid
Glutamic acid
ME711827
-
-
-
-
DL-Homoserine
Homoserine
ME712095
-
-
-
-
D-lysopine
-
ME712420
-
-
-
-
(E,E)-2,4-Dodecadienal
-
ME712168
-
-
-
-
Elaeokanine C
Elaeokanine C
ME712023
-
-
-
-
ELK
-
ME711876
-
-
-
-
ent-prostaglandin E2
-
ME712282
-
-
-
-
epi-jasmonic acid
-
ME712109
-
-
-
-
Eslicarbazepine acetate
-
ME712433
-
-
-
-
Ethyl caproate
-
ME712354
-
-
-
-
Ethyl N-[(2-isopropyl-5-methylcyclohexyl)carbonyl]...
-
ME712351
-
-
-
-
Ethyl N-ethylanthranilate
Ethyl-N-ethylanthranilic acid
ME712298
-
-
-
-
flucindole
-
ME712206
-
-
-
-
Formylkynurenine
N-Formyl-L-kynurenine
ME712159
-
-
-
-
fosfocreatinine
-
ME712020
-
-
-
-
fructoselysine 6-phosphate
Fructoselysine 6-phosphate
ME712301
-
-
-
-
gamma-L-glutamyl-L-tyrosine
-
ME712389
-
-
-
-
gln-phe
Gln-Phe
ME712283
-
-
-
-
glu-leu
Glu-Leu
ME712013
-
-
-
-
glu-tyr
Glu-Tyr
ME712125
-
-
-
-
Glycylglutamic acid
Gly-Glu
ME712015
-
-
-
-
Gly-l-pro
-
ME711989
-
-
-
-
Gly-Phe
Gly-Phe
ME712124
-
-
-
-
Golotimod
-
ME712191
-
-
-
-
Harmalane
-
ME712072
-
-
-
-
hexahydro-2-oxo-1h-thieno(3,4-d)imidazole-4-pentan...
-
ME712410
-
-
-
-
Hexanal
Caproaldehyde
ME712272
-
-
-
-
Hexylbenzene
-
ME712209
-
-
-
-
His-pro
His-Pro
ME712064
-
-
-
-
Homocitrulline
Homocitrulline
ME711951
-
-
-
-
Homo-L-arginine
Homoarginine
ME711933
-
-
-
-
homomethionine
Homomethionine
ME712296
-
-
-
-
Hopantenic acid
-
ME712044
-
-
-
-
Hydroxytyrosol
-
ME712181
-
-
-
-
Idoxifene
-
ME712414
-
-
-
-
Indole-3-acetaldehyde
Indoleacetaldehyde
ME712106
-
-
-
-
INOCOTERONE ACETATE
-
ME712428
-
-
-
-
IPH
-
ME711885
-
-
-
-
Iprofenin
-
ME712039
-
-
-
-
Isoputreanine
Isoputreanine
ME712136
-
-
-
-
Isovalerylglutamic acid
-
ME712173
-
-
-
-
jasminine
-
ME712067
-
-
-
-
Lauramide
-
ME711996
-
-
-
-
L-coprine
Coprine
ME712312
-
-
-
-
L-Cysteinylglycine disulfide
Cysteinylglycine disulfide
ME711979
-
-
-
-
L-decyline
-
ME712429
-
-
-
-
lentiginosine
Lentiginosine
ME712121
-
-
-
-
Leucylasparagine
Leu-Asn
ME711974
-
-
-
-
Leucyltyrosine
Leu-Tyr
ME712347
-
-
-
-
leu-cys
Leu-Cys
ME712292
-
-
-
-
Leu-Gly-Pro
Leu-Gly-Pro
ME712308
-
-
-
-
Leu-Leu
Leu-Leu
ME712161
-
-
-
-
leu-phe
Leu-Phe
ME712059
-
-
-
-
Leu-pro
Leu-Pro
ME711934
-
-
-
-
Leu-Val
Leu-Val
ME711963
-
-
-
-
L-gamma-Glutamyl-L-leucine
gamma-Glutamylleucine
ME711982
-
-
-
-
L-gamma-Glutamyl-L-methionine
-
ME712116
-
-
-
-
?-L-Glutamyl-L-glutamic acid
Glu-Glu
ME712076
-
-
-
-
LLK
-
ME712395
-
-
-
-
LNK
-
ME711875
-
-
-
-
Lotaustralin
Lotaustralin
ME712024
-
-
-
-
L-pyrrolysine
-
ME712281
-
-
-
-
LQ1825000
-
ME711975
-
-
-
-
L-Theanine
N(5)-Ethyl-glutamine
ME712069
-
-
-
-
Luciduline
Luciduline
ME712313
-
-
-
-
LV1850000
-
ME712365
-
-
-
-
(-)-Lycodine
Lycodine
ME712235
-
-
-
-
Maleamic acid
Maleamate
ME712172
-
-
-
-
Marimastat
-
ME712286
-
-
-
-
mephenesin
-
ME712266
-
-
-
-
Methionyl-4-hydroxyproline
-
ME712112
-
-
-
-
Methyl (2R,3S)-3-hydroxy-8-methyl-8-azabicyclo[3.2...
-
ME712239
-
-
-
-
Methyl alpha-aspartylphenylalaninate
-
ME711966
-
-
-
-
met-pro
Met-Pro
ME712285
-
-
-
-
met-tyr
Met-Tyr
ME712289
-
-
-
-
MFCD00010610
-
ME712257
-
-
-
-
MFCD00025555
-
ME712250
-
-
-
-
MFCD00041932
-
ME712189
-
-
-
-
MFCD00070502
-
ME712157
-
-
-
-
MFCD01318772
-
ME712180
-
-
-
-
MHPG
Vanylglycol
ME712380
-
-
-
-
ML-236C
ML 236C
ME712366
-
-
-
-
N1-(2-{2-[2-(acetylamino)phenoxy]ethoxy}phenyl)ace...
-
ME712427
-
-
-
-
N~2~-Acetyl-L-ornithine
N-Acetylornithine
ME712012
-
-
-
-
N-(2-Amino-3-methylbutanoyl)glutamine
-
ME711964
-
-
-
-
N-(2-Amino-4-methylpentanoyl)glutamine
-
ME712108
-
-
-
-
N-[2-Hydroxy-2-(4-methoxyphenyl)ethyl]benzamide
-
ME712003
-
-
-
-
N-(2-Hydroxyethyl)glutamine
-
ME712179
-
-
-
-
N-(2-Methylbutyl)-N'-(6-{4-[5-(trifluoromethyl)pyr...
-
ME712101
-
-
-
-
N-[(2S)-2-Hydroxypropanoyl]methionine
-
ME712331
-
-
-
-
N-(3,4-Dihydroxyphenyl)glutamine
-
ME711881
-
-
-
-
N-(3-acetamidopropyl)pyrrolidin-2-one
Acisoga
ME712204
-
-
-
-
N-(3-methyl-1-phenyl-1H-pyrazol-5-yl)-2-morpholino...
-
ME712176
-
-
-
-
N4-Acetylcytidine
N4-Acetylcytidine
ME712225
-
-
-
-
N-acetyl-LL-2,6-diaminopimelic acid
-
ME711954
-
-
-
-
N-Acetylvanilalanine
N-Acetylvanilalanine
ME712290
-
-
-
-
N(alpha)-gamma-L-glutamylhistamine
N(alpha)-gamma-Glutamylhistamine
ME711909
-
-
-
-
N-(Carboxyacetyl)phenylalanine
-
ME712249
-
-
-
-
N-(Carboxymethyl)norleucine
-
ME711962
-
-
-
-
Nitrosoguvacoline
-
ME712419
-
-
-
-
N-lauroylglycine
NAGly 12:0
ME712213
-
-
-
-
(+)-N-Methylconiine
-
ME712030
-
-
-
-
N-Methylhexanamide
N-Methyl hexanamide
ME712328
-
-
-
-
N,N-dimethylarginine
Dimethylarginine
ME711893
-
-
-
-
N-Nonanoylglycine
N-Nonanoylglycine
ME712091
-
-
-
-
Northienamycin
-
ME712391
-
-
-
-
NP-001346
-
ME711884
-
-
-
-
NP-003399
-
ME712094
-
-
-
-
NP-011220
-
ME712201
-
-
-
-
NP-013176
-
ME712098
-
-
-
-
NP-013663
-
ME712138
-
-
-
-
NP-016455
-
ME712302
-
-
-
-
NP-017061
-
ME712357
-
-
-
-
NP-018716
-
ME712211
-
-
-
-
NP-020014
-
ME712268
-
-
-
-
NP-020078
-
ME712217
-
-
-
-
NP-021797
-
ME712119
-
-
-
-
N-Propionylmethionine
N-propionylmethionine
ME712435
-
-
-
-
n-Ribosylhistidine
N-Ribosylhistidine
ME711912
-
-
-
-
N-Stearoyltyrosine
N-Stearoyl tyrosine
ME711864
-
-
-
-
N-Succinyl-L-diaminopimelic acid
N-Succinyl-L,L-2,6-diaminopimelate
ME711882
-
-
-
-
N-(tert-Butoxycarbonyl)-L-leucine
-
ME711835
-
-
-
-
N-Tridecanoylglycine
-
ME712047
-
-
-
-
N-Undecanoylglycine
N-Undecanoylglycine
ME711843
-
-
-
-
Nupharidine
-
ME712079
-
-
-
-
nylon cyclic dimer
-
ME712082
-
-
-
-
O-(3-Carboxypropanoyl)homoserine
-
ME711869
-
-
-
-
Olodaterol
-
ME712276
-
-
-
-
ophthalmic acid
Ophthalmic acid
ME711870
-
-
-
-
Otonecine
Otonecine
ME712096
-
-
-
-
oxiracetam
-
ME712006
-
-
-
-
Palmitic Acid
Palmitic acid
ME711976
-
-
-
-
Panthenyl ethyl ether
-
ME711907
-
-
-
-
PEG-4
-
ME711925
-
-
-
-
pentahomomethionine
Pentahomomethionine
ME711943
-
-
-
-
Phenylalanylproline
Phe-Pro
ME712128
-
-
-
-
Phenytoin
Phenytoin
ME712102
-
-
-
-
porfiromycin
-
ME712434
-
-
-
-
Pramiracetam
-
ME712329
-
-
-
-
Prenisteine
-
ME712029
-
-
-
-
Pro-Hyp
-
ME712291
-
-
-
-
pro-met
Pro-Met
ME711854
-
-
-
-
Pro-Pro
Pro-Pro
ME711991
-
-
-
-
Prostaglandin A2
PGA2
ME712367
-
-
-
-
Prostaglandin E2
PGE2
ME711944
-
-
-
-
Prostaglandin F2?
-
ME712341
-
-
-
-
Pro-tyr
Pro-Tyr
ME712042
-
-
-
-
PS(16:0/16:1(9Z))
PS 16:0/16:1(9Z)
ME712287
-
-
-
-
Pyrone
-
ME712238
-
-
-
-
QS4476500
-
ME711845
-
-
-
-
QV1MVO1R
-
ME711973
-
-
-
-
(+)-Riboflavin
Riboflavin
ME712348
-
-
-
-
riboflavin cyclic 4',5'-phosphate
-
ME711987
-
-
-
-
R-Soterenol
-
ME712369
-
-
-
-
S-3-oxodecanoyl cysteamine
-
ME711856
-
-
-
-
Salicylaldehyde
2-Hydroxybenzaldehyde
ME712417
-
-
-
-
S-Allyl-L-cysteine
S-Allylcysteine
ME711829
-
-
-
-
S-Benzyl-D-cysteine
-
ME712363
-
-
-
-
Selexipag
-
ME712271
-
-
-
-
Ser-met
Ser-Met
ME712333
-
-
-
-
ser-trp
Ser-Trp
ME712418
-
-
-
-
S-Methyl [(1-methoxy-1H-indol-3-yl)methyl]carbamot...
-
ME712071
-
-
-
-
Sodium [dodecanoyl(methyl)amino]acetate
-
ME712147
-
-
-
-
Styrene
Styrene
ME712339
-
-
-
-
Succinic anhydride
Succinic anhydride
ME711936
-
-
-
-
Succinylacetone
Succinylacetone
ME712058
-
-
-
-
Succinyladenosine
Succinyladenosine
ME711945
-
-
-
-
Tetraacetylethylenediamine
Tetraacetylethylenediamine
ME712022
-
-
-
-
Tetramethylurea
-
ME712240
-
-
-
-
Thiorphan
Thiorphan
ME711957
-
-
-
-
thiouridine
-
ME712154
-
-
-
-
thr-pro
Thr-Pro
ME712115
-
-
-
-
Timonacic
-
ME711939
-
-
-
-
tioxidazole
-
ME712430
-
-
-
-
TKK
-
ME711895
-
-
-
-
tricholomic acid
Tricholomic acid
ME712078
-
-
-
-
trihomomethionine
Trihomomethionine
ME712210
-
-
-
-
trilobolide
-
ME712001
-
-
-
-
Trimethylenetetraurea
-
ME712004
-
-
-
-
Tris(hydroxymethyl)aminomethane
2-Amino-2-methylol-propane-1,3-diol
ME711926
-
-
-
-
Troxipide
Troxipide
ME712149
-
-
-
-
UNII:R3KSN48ZFJ
-
ME712007
-
-
-
-
ureidohomoserine
-
ME712177
-
-
-
-
val-asn
Val-Asn
ME712090
-
-
-
-
Val-Leu
Val-Leu
ME712005
-
-
-
-
val-phe
Val-Phe
ME712343
-
-
-
-
Val-pro
Val-Pro
ME712326
-
-
-
-
Val-Ser
Val-Ser
ME712032
-
-
-
-
Valylvaline
Val-Val
ME712305
-
-
-
-
Vanillin
Vanillin
ME712242
-
-
-
-
Veliparib
-
ME712359
-
-
-
-
vinylglycine
-
ME711883
-
-
-
-
XT2570000
-
ME712062
-
-
-
-
Zipeprol
-
ME712299
-
-
-
-
Analysis: Reversed phase NEGATIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
alpha-Ketoglutaric acid
2-Oxoglutaric acid
ME712454
51
C00026
-
-
α-Isopropylmalate
-
ME712550
77
-
-
-
4-Hydroxybenzaldehyde
4-Hydroxybenzaldehyde
ME712443
126
C00633
-
-
5-Aminovaleric acid
5-Aminopentanoic acid
ME712516
138
C00431
-
-
Benzoic acid
Benzoic acid
ME712565
243
C00180
-
-
Citric acid
Citric acid
ME712452
311
C00158
-
-
Salicylic acid
Salicylic acid
ME712529
338
C00805
-
-
Caprylic acid
Caprylic acid
ME712588
379
C06423
-
-
DL-Mevalonic acid
-
ME712604
449
-
-
-
Methylmalonic acid
Methylmalonic acid
ME712442
487
C02170
-
-
DL-Malic acid
Malic acid
ME712456
525
C00711
-
-
Creatine
Creatine
ME712546
586
C00300
-
-
DL-Alanine
Alanine
ME712552
602
C01401
-
-
Diacetyl
Diacetyl
ME712562
650
C00741
-
-
DL-Glutamine
Glutamine
ME712467
738
C00303
-
-
Glycerol 3-phosphate
sn-Glycero-3-phosphate
ME712457
754
C03189
-
-
DL-Lysine
Lysine
ME712551
866
C16440
-
-
Palmitic acid
Palmitic acid
ME712478
985
-
-
-
porphobilinogen
Porphobilinogen
ME712586
1021
C00931
-
-
Pyruvic acid
Pyruvic acid
ME712463
1060
C00022
-
-
Taurine
Taurine
ME712439
1123
C00245
-
-
2-Hydroxymyristic acid
2-Hydroxymyristic acid
ME712644
1563
-
-
-
Homovanillic acid
Homovanillic acid
ME712670
1738
C05582
-
-
Aminohippuric acid
Aminohippuric acid
ME712589
2148
-
-
-
Azelaic acid
Azelaic acid
ME712477
2266
C08261
-
-
2,5-di-tert-Butylhydroquinone
-
ME712512
2374
-
-
-
Butabarbital
Butabarbital
ME712451
2479
-
-
-
Decanoic acid
Capric acid
ME712598
2969
C01571
-
-
Hydrochlorothiazide
Hydrochlorothiazide
ME712459
3639
-
-
-
3-Phenyllactic acid
Phenyllactic acid
ME712617
3848
C05607
-
-
Lauric acid
Lauric acid
ME712654
3893
C02679
-
-
Methyl salicylate
-
ME712676
4133
-
-
-
PHENYLBUTYRIC ACID
Phenylbutyric acid
ME712558
4775
-
-
-
Myristyl sulfate
-
ME712446
5248
-
-
-
Spaglumic acid
N-Acetyl-Asp-Glu
ME712472
5255
C12270
-
-
D-Glucose 6-phosphate
Glucose 6-phosphate
ME712492
5958
C00092
-
-
L-(+)-Aspartic acid
Aspartic acid
ME712450
5960
C00049
-
-
Adenosine diphosphate
ADP
ME712476
6022
C00008
-
-
L-Tyrosine
Tyrosine
ME712474
6057
C00082
-
-
Adenosine 3'5'-cyclic monophosphate
-
ME712515
6076
C00575
-
-
L-Phenylalanine
Phenylalanine
ME712445
6140
C00079
-
-
L-Histidine
Histidine
ME712505
6274
C00135
-
-
D-PANTOTHENIC ACID
Pantothenic acid
ME712703
6613
C00864
-
-
4-Pyridoxic acid
4-Pyridoxic acid
ME712591
6723
C00847
-
-
Guanosine
Guanosine
ME712481
6802
C00387
-
-
Propylparaben
Propylparaben
ME712694
7175
-
-
-
Sulfosalicylic Acid
Sulfosalicylic acid
ME712500
7322
-
-
-
4-Toluic acid
-
ME712597
7470
C01454
-
-
n-heptanoic acid
Heptylic acid
ME712647
8094
C17714
-
-
1-nonanoic acid
-
ME712630
8158
C01601
-
-
Nonanoic acid
Pelargonic acid
ME712507
8158
C01601
-
-
2-Naphthalenesulfonic acid
-
ME712634
8420
C16202
-
-
Isophthalic acid
-
ME712436
8496
-
-
-
MBP
Monobutylphthalate
ME712678
8575
-
-
-
Monobutyl phthalate
Monobutylphthalate
ME712547
8575
-
-
-
Dodecyl sulfate
Blasticidin S
ME712438
8778
C08031
-
-
Hexanoic acid
Caproic acid
ME712583
8892
C01585
-
-
D-(+)-Tryptophan
D-Tryptophan
ME712453
9060
C00525
-
-
DL-4-Hydroxyphenyllactic acid
Hydroxyphenyllactic acid
ME712582
9378
C03672
-
-
2-Hydroxyhippuric acid
Salicyluric acid
ME712626
10253
C07588
-
-
Methylsuccinic acid
Methylsuccinic acid
ME712468
10349
-
-
-
Suberic acid
Suberic acid
ME712462
10457
C08278
-
-
Hexadecanedioic acid
Hexadecanedioic acid
ME712702
10459
C19615
-
-
16-Hydroxyhexadecanoic acid
Juniperic acid
ME712671
10466
C18218
-
-
D-Gluconic acid
Gluconic acid
ME712536
10690
C08038
-
-
Myristic acid
Myristic acid
ME712648
11005
-
-
-
2-Hydroxyphenylacetic acid
2-Hydroxyphenylacetic acid
ME712519
11970
C05852
-
-
N-Acetyl-L-cysteine
N-Acetylcysteine
ME712712
12035
-
-
-
3,4-Dimethylbenzoic acid
3,4-Dimethylbenzoic acid
ME712544
12073
-
-
-
3-Methylglutarate
-
ME712553
12284
-
-
-
3-Methylglutaric acid
Methylglutaric acid
ME712485
12284
-
-
-
3-Methyladipic acid
3-Methyladipic acid
ME712508
12292
-
-
-
Dodecanedioic acid
Dodecanedioic acid
ME712602
12736
C02678
-
-
Tetradecanedioic acid
Tetradecanedioic acid
ME712655
13185
-
-
-
6-Hydroxycaproic acid
6-Hydroxycaproic acid
ME712574
14490
C06103
-
-
4-ACETAMIDOBUTYRIC ACID
4-Acetamidobutanoic acid
ME712645
18189
C02946
-
-
4-Acetamidobenzoic acid
4-Acetamidobenzoic acid
ME712440
19266
-
-
-
3,3-Dimethylglutaric acid
-
ME712524
20984
-
-
-
Myrmicacin
-
ME712636
26612
-
-
-
L-Glutamic acid
Glutamic acid
ME712444
33032
C00025
-
-
LT9970000
-
ME712624
43359
C18912
-
-
Adenosine
Adenosine
ME712449
60961
C00212
-
-
Ethyl 3-hydroxybutyrate
-
ME712575
62572
-
-
-
L-Glutathione oxidized
Glutathione
ME712498
65359
C00127
-
-
Phenylacetylglycine
Phenylacetylglycine
ME712448
68144
C05598
-
-
RH0365500
-
ME712689
69522
-
-
-
N-Acetyl-L-leucine
N-Acetylleucine
ME712674
70912
C02710
-
-
Acamprosate
Acamprosate
ME712664
71158
-
-
-
10-Hydroxydecanoic acid
10-Hydroxydecanoic acid
ME712690
74300
C02774
-
-
2-Aminooctanedioic acid
-
ME712639
77937
-
-
-
12-Hydroxydodecanoic acid
12-Hydroxy lauric acid
ME712684
79034
C08317
-
-
12-Hydroxylauric acid
12-Hydroxy lauric acid
ME712680
79034
C08317
-
-
Capryloylglycine
Capryloylglycine
ME712584
84290
-
-
-
Galacturonic acid
Galacturonic acid
ME712503
84740
-
-
-
N-Acetylalanine
N-Acetylalanine
ME712523
88064
-
-
-
N-Phenylacetylglutamine
-
ME712714
92258
C04148
-
-
Ne-Acetyllysine
N6-Acetyllysine
ME712633
92832
C02727
-
-
Glycyl-L-leucine
Gly-Leu
ME712658
92843
C02155
-
-
Indole-3-lactic acid
Indole-3-lactic acid
ME712659
92904
C02043
-
-
L-alpha-Aspartyl-L-phenylalanine
-
ME712707
93078
-
-
-
3-tert-Butyladipic acid
Sebacic acid
ME712526
98967
-
-
-
L-(+)-Lactic acid
Lactic acid
ME712437
107689
C00186
-
-
Aceglutamide
N-Acetylglutamic acid
ME712606
182230
-
-
-
MFCD12546417
-
ME712628
189003
C06674
-
-
Cholic acid
Cholic acid
ME712568
221493
C00695
-
-
N-Acetylnorvaline
-
ME712641
306106
-
-
-
2-(Acetylamino)hexanoic acid
-
ME712615
306142
-
-
-
4-Oxoproline
4-Oxo-proline
ME712441
413589
C01877
-
-
D-Ribulose 5-phosphate
Ribulose 5-phosphate
ME712510
439184
C00199
-
-
(2R)-2,3-Dihydroxypropanoic acid
Glyceric acid
ME712514
439194
C00258
-
-
D-Glucosamine 6-phosphate
Glucosamine 6-phosphate
ME712688
439217
C00352
-
-
D-(-)-Fructose
Fructose
ME712460
439709
C02336
-
-
(+)-[6]-Gingerol
Gingerol
ME712483
442793
C10462
-
-
(E)-Aconitic Acid
-
ME712473
444212
C02341
-
-
L-(+)-Tartaric acid
Tartaric acid
ME712464
444305
-
-
-
Arachidonic acid
Arachidonic acid
ME712458
444899
C00219
-
-
Imidazolelactic acid
Imidazolelactic acid
ME712571
459122
-
-
-
N-Isovalerylglycine
Isovalerylglycine
ME712549
546304
-
-
-
Mesaconic acid
Mesaconic acid
ME712469
638129
C01732
-
-
Flavin mononucleotide (FMN)
FMN
ME712563
643976
C00061
-
-
CAPSO
-
ME712560
2733480
-
-
-
2-(Methylsulfonyl)-3-(pyrazin-2-ylamino)acrylonitr...
-
ME712698
2820809
-
-
-
Prostaglandin B1
PGB1
ME712701
5280388
C00959
-
-
Linoleic acid
Linoleic acid
ME712470
5280450
C01595
-
-
8(S)-Hydroxy-(5Z,9E,11Z,14Z)-eicosatetraenoic acid
8S-HETE
ME712681
5283154
C14776
-
-
5-OxoETE
5-Oxo-ETE
ME712685
5283159
-
-
-
10-HDA
-
ME712653
5312738
-
-
-
D-Alanyl-D-alanine
D-Alanyl-D-Alanine
ME712640
5460362
C00993
-
-
L-Threonic acid
Threonic acid
ME712465
5460407
C01620
-
-
Docosapentaenoic acid
Docosapentaenoic acid
ME712613
5497182
C16513
-
-
(+/-)12(13)-DiHOME
12,13-DiHOME
ME712695
10236635
-
-
-
Resolvin E1
Resolvin E1
ME712625
10473088
-
-
-
Prostaglandin K1
PGK1
ME712610
16061102
-
-
-
2-Hydroxy-4-(4-hydroxyphenyl)butanoic acid
-
ME712700
17760167
-
-
-
D-Sedoheptulose 7-phosphate
D-Sedoheptulose 7-phosphate
ME712554
22833559
-
-
-
(15Z)-9,12,13-Trihydroxy-15-octadecenoic acid
-
ME712693
24066906
-
-
-
(+/-)11(12)-EET
11,12-EpETrE
ME712692
40490664
-
-
-
5-[({(2R,4S,5R)-5-[1-Methyl-3-(2-thienyl)-1H-pyraz...
-
ME712672
40779355
-
-
-
N-Arachidonoyl taurine
N-Arachidonoyl taurine
ME712545
42607331
-
-
-
10-oxocapric acid
-
ME712537
-
-
-
-
13,14-Dihydro-15-keto Prostaglandin J2
13,14-Dihydro-15-keto-PGJ2
ME712711
-
-
-
-
1,4-Bis(2-ethylhexyl) sulfosuccinate
2-Methylacetophenone
ME712501
-
-
-
-
?17-6-keto prostaglandin F1a
-
ME712661
-
-
-
-
1-O-Phosphonopentitol
-
ME712480
-
-
-
-
1-stearoyl-sn-glycero-3-phospho-1D-myo-inositol
-
ME712513
-
-
-
-
2,3,4,5-Tetrahydroxypentanal
-
ME712594
-
-
-
-
[2,4,6-Trihydroxy-3-(3-methyl-2-buten-1-yl)phenyl]...
-
ME712686
-
-
-
-
(2,4-Dihydroxyphenyl)(oxo)acetic acid
-
ME712673
-
-
-
-
2,6-Dideoxy-3-O-methyl-L-arabino-hexopyranose
-
ME712651
-
-
-
-
2-(acetylamino)-4-(methylthio)butanoic acid
-
ME712548
-
-
-
-
2-amino-2,3,7-trideoxy-D-lyxo-hept-6-ulosonic acid
2-Amino-2,3,7-trideoxy-D-threo-hept-6-ulosonic acid
ME712611
-
-
-
-
(2E)-3-[4-(Sulfooxy)phenyl]acrylic acid
-
ME712489
-
-
-
-
2-Ethylglutaric acid
-
ME712600
-
-
-
-
2-Hydroxy-1,2-diphenylethyl hydrogen sulfate
-
ME712506
-
-
-
-
2-Hydroxy-1-(4-methoxyphenyl)propyl hexopyranoside
-
ME712710
-
-
-
-
2-Hydroxy-4-(7-hydroxy-3,5-dimethoxy-4-oxo-4H-chro...
-
ME712679
-
-
-
-
2-Hydroxy-6-methoxy-4-vinylphenyl hydrogen sulfate
-
ME712605
-
-
-
-
(+/-)-2-Hydroxyglutaric acid
2-Hydroxyglutaric acid
ME712534
-
-
-
-
2-Keto-glutaramic acid
2-Keto-glutaramic acid
ME712567
-
-
-
-
2-Methyl-4-oxopentanedioic acid
-
ME712484
-
-
-
-
(2R,3S)-3-isopropylmalic acid
-
ME712637
-
-
-
-
(2S)-2-Amino-8-oxodecanoic acid
-
ME712629
-
-
-
-
3-[(1S)-2-Cyclohexen-1-yl]-L-alanine
-
ME712669
-
-
-
-
3-(3,4-Dihydroxyphenyl)-2-(sulfooxy)propanoic acid
-
ME712566
-
-
-
-
3,4,5-Trihydroxy-6-(hydroxymethyl)tetrahydro-2H-py...
-
ME712569
-
-
-
-
3-[4-methyl-1-(2-methylpropanoyl)-3-oxocyclohexyl]...
-
ME712587
-
-
-
-
3-amino-2,3-dideoxy-scyllo-inosose
3-Amino-2,3-dideoxy-scyllo-inosose
ME712532
-
-
-
-
(3E)-3-Octenedioic acid
-
ME712542
-
-
-
-
3-Hydroxynonanoic acid
-
ME712656
-
-
-
-
3-Hydroxysebacic acid
3-Hydroxysebacic acid
ME712539
-
-
-
-
3-Hydroxysuberic acid
3-Hydroxysuberic acid
ME712708
-
-
-
-
3-Methylazelaic acid
-
ME712620
-
-
-
-
3-oxolauric acid
-
ME712718
-
-
-
-
3-Oxooctanoic acid
-
ME712564
-
-
-
-
3-oxopalmitic acid
-
ME712697
-
-
-
-
(3S,9aS)-3-(1H-Imidazol-5-ylmethyl)tetrahydro-2H-p...
-
ME712722
-
-
-
-
4-(2-Aminophenyl)-2,4-dioxobutanoic acid
4-(2-Aminophenyl)-2,4-dioxobutanoic acid
ME712717
-
-
-
-
4,5-dioxovaleric acid
-
ME712502
-
-
-
-
4-Amino-4-deoxypentopyranose
-
ME712555
-
-
-
-
4-Ethyl-2,6-dihydroxyphenyl hydrogen sulfate
-
ME712696
-
-
-
-
[4-Hydroxy-3-(sulfooxy)phenyl]acetic acid
-
ME712590
-
-
-
-
4-(Hydroxymethyl)benzenesulfonic acid
-
ME712488
-
-
-
-
4-IMIDAZOLEPYRAVIC ACID
-
ME712608
-
-
-
-
4-(octyloxy)benzoic acid
-
ME712576
-
-
-
-
(4R)-5-Hydroxy-L-leucine
-
ME712622
-
-
-
-
5-(1,2-Dihydroxy-2-propanyl)-2-methyl-1,3-cyclohex...
-
ME712723
-
-
-
-
5-Hydantoinpropionic acid
-
ME712559
-
-
-
-
5-Hydroxyvalproic acid
-
ME712631
-
-
-
-
(5Z,8Z)-5,8-Tetradecadienoic acid
-
ME712660
-
-
-
-
6-(5-Hydroxy-2-methyl-4-oxo-1(4H)-pyridinyl)norleu...
-
ME712687
-
-
-
-
6-[(6-Aminohexanoyl)amino]hexanoic acid
-
ME712706
-
-
-
-
6-Deoxy-D-arabino-hexos-2-ulose
-
ME712491
-
-
-
-
6-Ketoprostaglandin F1a
6-Keto-PGF1alpha
ME712540
-
-
-
-
6-Oxohexanoic acid
-
ME712535
-
-
-
-
8-(5-Pentyl-2-furyl)octanoic acid
-
ME712635
-
-
-
-
8-Amino-7-oxononanoic acid
8-Amino-7-oxononanoic acid
ME712592
-
-
-
-
8-Iso-15-keto-prostaglandin-F2ß
-
ME712607
-
-
-
-
9-Oxononanoic acid
9-Oxo-nonanoic acid
ME712482
-
-
-
-
a,a-Trehalose
Trehalose
ME712527
-
-
-
-
(Ac)2-L-Lys-D-Ala
(Ac)2-L-Lys-D-Ala
ME712643
-
-
-
-
Adenylsuccinic acid
Adenylsuccinic acid
ME712487
-
-
-
-
ANISURIC ACID
-
ME712525
-
-
-
-
anticapsin
-
ME712677
-
-
-
-
asn-val
Asn-Val
ME712612
-
-
-
-
asp-asn
Asp-Asn
ME712541
-
-
-
-
asp-cys
Asp-Cys
ME712713
-
-
-
-
asp-ile
Asp-Ile
ME712627
-
-
-
-
asp-leu
Asp-Leu
ME712657
-
-
-
-
Avenein
-
ME712561
-
-
-
-
Bergenin
Bergenin
ME712618
-
-
-
-
cis-4-Decenedioic acid
4Z-Decenedioic acid
ME712619
-
-
-
-
cis-4-Octenedioic acid
-
ME712667
-
-
-
-
cis-5,8,11,14,17-Eicosapentaenoic acid
EPA
ME712601
-
-
-
-
Cladinose
-
ME712704
-
-
-
-
cyclo-Dopa 5-O-glucoside
cyclo-Dopa 5-O-glucoside
ME712595
-
-
-
-
Cysteine-glutathione disulfide
S-Glutathionyl-cysteine
ME712585
-
-
-
-
D-4-PHOSPHOERYTHRONIC ACID
-
ME712593
-
-
-
-
D-a-Hydroxyglutaric acid
-
ME712471
-
-
-
-
d-Gluconic acid d-lactone
-
ME712494
-
-
-
-
dihydroxyphenylalanine
DOPA
ME712665
-
-
-
-
DL-Cerulenin
-
ME712716
-
-
-
-
DL-ß-Leucine
Leucine
ME712447
-
-
-
-
Docosahexaenoic Acid
Docosahexaenoic acid
ME712531
-
-
-
-
d-Ribono-1,4-lactone
-
ME712466
-
-
-
-
D-Xylonic acid
Xylonic acid
ME712496
-
-
-
-
D-Xylulosonic acid
-
ME712621
-
-
-
-
ent-Prostaglandin F2a
-
ME712632
-
-
-
-
Erythrose, 4-phosphate
-
ME712493
-
-
-
-
Ferulic acid 4-sulfate
Ferulic acid 4-sulfate
ME712517
-
-
-
-
gamma-Glutamyl-N~5~-acetylornithine
-
ME712623
-
-
-
-
Glu-Glu
Glu-Glu
ME712603
-
-
-
-
glu-leu
Glu-Leu
ME712649
-
-
-
-
glyceraldehyde 3-phosphate
Glyceraldehyde 3-phosphate
ME712511
-
-
-
-
Gly-Phe
Gly-Phe
ME712709
-
-
-
-
guaiacol sulfate
Guaiacol sulfate
ME712577
-
-
-
-
Hexitol
Sorbitol
ME712530
-
-
-
-
his-asp
His-Asp
ME712495
-
-
-
-
Homovanillic acid sulfate
-
ME712662
-
-
-
-
hydroxycitric acid
Garcinia acid
ME712572
-
-
-
-
γ-Glutamyl phosphate
-
ME712538
-
-
-
-
Imino(methyl)phenyl-lambda~4~-sulfane 2,4,6-trimet...
-
ME712499
-
-
-
-
IpA
-
ME712599
-
-
-
-
Isovalerylglutamic acid
-
ME712581
-
-
-
-
L-Cysteinylglycine disulfide
Cysteinylglycine disulfide
ME712570
-
-
-
-
L-decyline
-
ME712705
-
-
-
-
Leucyltyrosine
Leu-Tyr
ME712715
-
-
-
-
Leu-Leu
Leu-Leu
ME712699
-
-
-
-
leu-phe
Leu-Phe
ME712668
-
-
-
-
Leu-Val
Leu-Val
ME712642
-
-
-
-
L-gamma-Glutamyl-L-leucine
gamma-Glutamylleucine
ME712666
-
-
-
-
Limaprost
-
ME712720
-
-
-
-
MFCD00070502
-
ME712663
-
-
-
-
MFCD00137562
-
ME712682
-
-
-
-
N-(3-Carboxypropyl)glutamine
-
ME712543
-
-
-
-
N-Acetyldemethylphosphinothricin tripeptide
-
ME712521
-
-
-
-
N-Acetylleucylleucine
N-Acetyl-leucyl-leucine
ME712616
-
-
-
-
n-Butyl lactate
-
ME712573
-
-
-
-
N-feruloylglycine
N-Feruloylglycine
ME712609
-
-
-
-
N-Methylglutamate
N-Methyl-glutamic acid
ME712522
-
-
-
-
N-Nonanoylglycine
N-Nonanoylglycine
ME712580
-
-
-
-
NP-001134
-
ME712490
-
-
-
-
NP-002089
-
ME712650
-
-
-
-
NP-008309
-
ME712683
-
-
-
-
NP-016102
-
ME712504
-
-
-
-
NP-018661
-
ME712520
-
-
-
-
NP-018716
-
ME712557
-
-
-
-
N-Phenylacetylglutamic acid
N-Phenylacetylglutamic acid
ME712721
-
-
-
-
N-Succinyl-L-diaminopimelic acid
N-Succinyl-L,L-2,6-diaminopimelate
ME712509
-
-
-
-
N-(tert-Butoxycarbonyl)-L-leucine
-
ME712596
-
-
-
-
N-Tridecanoylglycine
-
ME712579
-
-
-
-
N-Undecanoylglycine
N-Undecanoylglycine
ME712455
-
-
-
-
ophthalmic acid
Ophthalmic acid
ME712518
-
-
-
-
Palmitoleic Acid
Palmitoleic acid
ME712675
-
-
-
-
pentahomomethionine
Pentahomomethionine
ME712652
-
-
-
-
phosphopantothenic acid
-
ME712614
-
-
-
-
Prostaglandin E2
PGE2
ME712497
-
-
-
-
Prostaglandin F3a
PGF3alpha
ME712556
-
-
-
-
sedoheptulose 1,7-bisphosphate
Sedoheptulose 1,7-bisphosphate
ME712646
-
-
-
-
Succinylacetone
Succinylacetone
ME712479
-
-
-
-
Succinyladenosine
Succinyladenosine
ME712533
-
-
-
-
Sulfuric acid
-
ME712475
-
-
-
-
THREONIC ACID, L-
-
ME712461
-
-
-
-
Threonylleucine
Thr-Leu
ME712719
-
-
-
-
Traumatic Acid
Traumatic acid
ME712528
-
-
-
-
trp-glu
Trp-Glu
ME712691
-
-
-
-
Val-Leu
Val-Leu
ME712638
-
-
-
-
Vitamin C
Vitamin C
ME712486
-
-
-
-
Z-Maleylacetic acid
-
ME712578
-
-
-
-
Analysis: HILIC POSITIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
3-Ureidopropionic acid
Ureidopropionic acid
ME713193
111
C02642
-
-
4-Hydroxybenzaldehyde
4-Hydroxybenzaldehyde
ME712973
126
C00633
-
-
Adenine
Adenine
ME712792
190
C00147
-
-
7,8-Dihydrobiopterin
7,8-Dihydrobiopterin
ME712901
252
C02953
-
-
Hippuric acid
Hippuric acid
ME712821
464
C01586
-
-
.alpha.-Aminoadipic acid
alpha-Aminoadipic acid
ME712725
469
-
-
-
g-Guanidinobutyrate
-
ME712808
500
C01035
-
-
Creatine
Creatine
ME712726
586
C00300
-
-
Creatinine
Creatinine
ME712724
588
C00791
-
-
Cytosine
Cytosine
ME712785
597
C00380
-
-
DL-Alanine
Alanine
ME712780
602
C01401
-
-
DL-Serine
Serine
ME712736
617
C00716
-
-
N,N-Dimethylglycine
Dimethylglycine
ME712865
673
C01026
-
-
DL-Glutamine
Glutamine
ME712913
738
C00303
-
-
Glycocyamine
Guanidoacetic acid
ME712798
763
C00581
-
-
Guanine
Guanine
ME713035
764
C00242
-
-
Histamine
Histamine
ME712872
774
C00388
-
-
Hypoxanthine
Hypoxanthine
ME712739
790
C00262
-
-
Pipecolic acid
Pipecolic acid
ME712757
849
-
-
-
DL-2,6-Diaminopimelic acid
-
ME713203
865
-
-
-
DL-Lysine
Lysine
ME712753
866
C16440
-
-
N-Methylhistamine
1-Methylhistamine
ME712750
912
-
-
-
Nicotinamide
Niacinamide
ME712773
936
C00153
-
-
Phenethylamine
Phenylethylamine
ME713057
1001
C05332
-
-
Putrescine
Putrescine
ME712974
1045
C02896
-
-
Pyridoxal
Pyridoxal
ME712807
1050
C00250
-
-
Pyridoxamine
Pyridoxamine
ME712959
1052
C00534
-
-
Carbocysteine
S-Carboxymethyl-cysteine
ME712989
1080
-
-
-
Taurine
Taurine
ME713220
1123
C00245
-
-
DL-Tryptophan
Tryptophan
ME712894
1148
C00806
-
-
Uric acid
Uric acid
ME713102
1175
C00366
-
-
Xanthine
Xanthine
ME712889
1188
C00385
-
-
5-Hydroxyindole-3-acetic acid
5-Hydroxyindoleacetic acid
ME712804
1826
C05635
-
-
N6-Me-Adenosine
N6-Methyladenosine
ME712840
1869
-
-
-
8-Hydroxyquinoline
Quinolin-8-ol
ME713052
1923
C19434
-
-
Acetohydroxamic acid
Acetohydroxamic acid
ME712794
1990
C06808
-
-
Aminohippuric acid
Aminohippuric acid
ME713159
2148
-
-
-
Benzyl butyl phthalate
Benzyl butyl phthalate
ME712868
2347
C14211
-
-
Betahistine
-
ME713135
2366
-
-
-
butalbital
Butalbital
ME712997
2481
-
-
-
Caffeine
Caffeine
ME712770
2519
C07481
-
-
Ethoxyquin
Ethoxyquin
ME713154
3293
-
-
-
heptaminol
-
ME713215
3590
-
-
-
Ketamine
Ketamine
ME713001
3821
-
-
-
Methoxyphenamine
-
ME713211
4117
-
-
-
Papaverine
-
ME713047
4680
C06533
-
-
propranolol
-
ME713166
4946
C07407
-
-
Rimantadine
Rimantadine
ME712988
5071
C07236
-
-
Tyramine
Tyramine
ME712960
5610
C00483
-
-
Xanthurenic acid
Xanthurenic acid
ME713067
5699
C02470
-
-
D-(+)-Glucose
Glucose
ME713095
5793
C00293
-
-
pentetrazol
-
ME713036
5917
C13692
-
-
N-Nitrosodiethylamine
N-Nitrosodiethylamine
ME713153
5921
C14422
-
-
L-Aspartic acid
Aspartic acid
ME712870
5960
C00049
-
-
Inosine
Inosine
ME712741
6021
C00294
-
-
L-Tyrosine
Tyrosine
ME712756
6057
C00082
-
-
Adenosine 5'-monophosphate
AMP
ME712859
6083
C00020
-
-
N-Nitrosodimethylamine (NDMA)
-
ME712892
6124
C14704
-
-
L-(-)-methionine
Methionine
ME712838
6137
C00073
-
-
L-(-)-Methionine
Methionine
ME712748
6137
C00073
-
-
L-Phenylalanine
Phenylalanine
ME712732
6140
C00079
-
-
Cytidine
Cytidine
ME712767
6175
C00475
-
-
D-(+)-Maltose
Maltose
ME712903
6255
C01971
-
-
L(+)-Ornithine
Ornithine
ME712985
6262
C00077
-
-
Asparagine
Asparagine
ME712830
6267
C00152
-
-
L-Histidine
Histidine
ME712790
6274
C00135
-
-
L-Isoleucine
Isoleucine
ME712738
6306
C00407
-
-
L-(+)-Arginine
Arginine
ME712806
6322
C00062
-
-
Citroflex A-4
-
ME713128
6505
-
-
-
Tris(2-butoxyethyl) phosphate
-
ME712751
6540
C14446
-
-
Isobutyric acid
Isobutyric acid
ME712977
6590
C02632
-
-
D-PANTOTHENIC ACID
Pantothenic acid
ME712746
6613
C00864
-
-
Guanosine
Guanosine
ME712815
6802
C00387
-
-
Xylitol
Xylitol
ME713221
6912
C00379
-
-
6-Methylquinoline
6-Methylquinoline
ME712783
7059
-
-
-
2-Quinolinecarboxylic acid
Quinaldic acid
ME712888
7124
C06325
-
-
Acetophenone
Acetophenone
ME712875
7410
C07113
-
-
2-(Diethylamino)ethanol
-
ME712963
7497
-
-
-
N,N-Diethylethanolamine
-
ME712733
7497
-
-
-
Cyclamic acid
Cyclamic acid
ME713088
7533
C02824
-
-
Acetoacetanilide
-
ME712944
7592
-
-
-
Triethanolamine
Triethanolamine
ME712817
7618
-
-
-
Bis(2-ethylhexyl) amine
-
ME713180
7791
-
-
-
2,6-Dimethylpyrazine
-
ME712745
7938
-
-
-
Cyclohexylamine
Cyclohexylamine
ME712776
7965
C00571
-
-
3-Hydroxypyridine
3-Hydroxypyridine
ME713213
7971
-
-
-
Bis(2-ethylhexyl) phthalate
Bis(2-ethylhexyl)phthalate
ME712829
8343
-
-
-
D-(+)-Proline
D-Proline
ME712730
8988
C00763
-
-
4,6-Dimethyl-2(1H)-pyrimidinone
-
ME713009
9508
-
-
-
Carbutamide
-
ME713013
9564
-
-
-
L-(+)-Citrulline
Citrulline
ME712860
9750
C00327
-
-
7-Methylguanine
7-Methylguanine
ME712876
11361
C02242
-
-
MW5604750
-
ME713205
12581
-
-
-
EJ4025000
-
ME712947
13542
C19277
-
-
2'-Deoxyadenosine
Deoxyadenosine
ME713086
13730
C00559
-
-
6-Methoxyquinoline
6-Methoxyquinoline
ME712912
14860
-
-
-
N-Methylcaprolactam
-
ME712881
17369
-
-
-
PEG n6
-
ME712853
17472
-
-
-
4-Acetamidobutanoic acid
4-Acetamidobutanoic acid
ME712957
18189
C02946
-
-
6-Aminonicotinic acid
-
ME712893
18496
-
-
-
2,4,5-Trimethoxybenzaldehyde
-
ME713157
20525
-
-
-
L-(+)-norleucine
Norleucine
ME713033
21236
C01933
-
-
L-Norleucine
Norleucine
ME712731
21236
C01933
-
-
N-Methyl-<scp>D</scp>-aspartic acid
-
ME713179
22880
C12269
-
-
Zalcitabine
Zalcitabine
ME713156
24066
C07207
-
-
Triisopropanolamine
-
ME712871
24730
-
-
-
NPEO
-
ME713000
24773
-
-
-
L-Glutamic acid
Glutamic acid
ME712837
33032
C00025
-
-
4-Pyridineacetic acid
-
ME712816
34228
-
-
-
ISOXYL
-
ME712768
41648
C18432
-
-
Metalaxyl
Metalaxyl
ME713059
42586
C10947
-
-
(R)-Salsolinol
(R)-Salsolinol
ME713146
54456
-
-
-
clomazone
-
ME713121
54778
C11095
-
-
Adenosine
Adenosine
ME712737
60961
C00212
-
-
PEG n5
Pentaethylene glycol
ME712856
62551
-
-
-
valganciclovir
Valganciclovir
ME713165
64147
-
-
-
5-Methylcytosine
5-Methylcytosine
ME712908
65040
C02376
-
-
L-Cystine
Cystine
ME712842
67678
C00491
-
-
Phenylacetylglycine
Phenylacetylglycine
ME712826
68144
C05598
-
-
Guanidinoethyl sulfonate
Taurocyamine
ME713007
68340
C01959
-
-
3-Aminosalicylic acid
3-Aminosalicylic acid
ME712987
68443
-
-
-
Nicotinuric acid
Nicotinuric acid
ME713148
68499
C05380
-
-
N-Acetylhistamine
N-Acetylhistamine
ME712791
69602
C05135
-
-
L-Tyrosine methyl ester
Methyl tyrosinate
ME713097
70652
C03404
-
-
N-Acetyl-L-leucine
N-Acetylleucine
ME712937
70912
C02710
-
-
Valpromide
-
ME713181
71113
-
-
-
2,2,6,6-Tetramethyl-4-piperidinol
-
ME712812
75471
-
-
-
1-Methylimidazoleacetic acid
-
ME712820
75810
C05828
-
-
Methylimidazoleacetic acid
Methylimidazoleacetic acid
ME713131
75810
C05828
-
-
1-Methyladenine
1-Methyladenine
ME713107
78821
C02216
-
-
PEG n10
-
ME712864
79689
-
-
-
PEG n7
-
ME712845
79718
-
-
-
L(+)-2-Aminobutyric acid
2S-Aminobutyric acid
ME712863
80283
C02356
-
-
(S)-(+)-2-Amino-1-propanol
-
ME712910
80307
-
-
-
N-Benzylformamide
N-benzylformamide
ME712867
80654
C15561
-
-
6-Amino-1,3-dimethyluracil
-
ME712911
81152
-
-
-
PEG n12
-
ME712930
81248
-
-
-
PEG n11
-
ME712895
81260
-
-
-
Spiroxamine
-
ME712982
86160
C11124
-
-
PEG n13
-
ME712976
87168
-
-
-
PPG n4
-
ME712998
91234
-
-
-
sphinganine
Sphinganine
ME713139
91486
C00836
-
-
Irgafos 168
-
ME712898
91601
-
-
-
Ne-Acetyllysine
N6-Acetyllysine
ME713190
92832
C02727
-
-
Glycyl-L-leucine
Gly-Leu
ME713071
92843
C02155
-
-
Gly-Leu
Gly-Leu
ME713076
92843
C02155
-
-
Methyl-L-histidinate
-
ME713147
92893
-
-
-
Dihydrothymine
Dihydrothymine
ME712831
93556
C00906
-
-
Imidazoleacetic acid
Imidazoleacetic acid
ME712951
96215
C02835
-
-
6-Methylnicotinamide
-
ME712729
96351
-
-
-
Acetylarginine
N-Acetylarginine
ME712799
102807
-
-
-
Hypotaurine
Hypotaurine
ME712789
107812
C00519
-
-
Anserine
Anserine
ME713100
112072
C01262
-
-
PEG n15
-
ME713005
120062
-
-
-
Phytosphingosine
Phytosphingosine
ME713192
122121
C12144
-
-
MFCD10024834
-
ME712924
122356
C02714
-
-
N8-Acetylspermidine
N8-Acetylspermidine
ME712846
123689
C01029
-
-
Norketamine
-
ME712967
123767
-
-
-
1,2,3,4-Tetramethyl-1,3-cyclopentadiene
-
ME713045
138163
-
-
-
L-Methionine sulfoxide
-
ME712981
158980
C02989
-
-
Guvacoline
Guvacoline
ME713149
160492
C16821
-
-
L-Kynurenine
Kynurenine
ME712802
161166
C00328
-
-
Basic Violet 1
-
ME713129
164877
-
-
-
3-Methylcrotonylglycine
3-Methylcrotonylglycine
ME712839
169485
-
-
-
S-Methyl-L-Cysteine-S-oxide
S-Methylcysteine S-oxide
ME713012
182092
-
-
-
Aceglutamide
N-Acetylglutamic acid
ME713030
182230
-
-
-
Ecgonine
Ecgonine
ME713142
251910
-
-
-
2-Amino-3-methoxybenzoic acid
3-Methoxyanthranilic acid
ME713024
255720
C05831
-
-
N-Ethylglycine
N-Ethylglycine
ME713017
316542
C11735
-
-
2-Oxindole
Indolin-2-one
ME713050
321710
C12312
-
-
4-Indolecarbaldehyde
Indole-4-carboxaldehyde
ME713031
333703
-
-
-
1-Methylhistidine
1-Methylhistidine
ME712740
352019
-
-
-
Methyl 2-[(2-methoxy-2-oxoethyl)amino]acetate
-
ME712995
428827
-
-
-
S-Adenosylhomocysteine
S-Adenosylhomocysteine
ME712850
439155
C00021
-
-
L(-)-Pipecolinic acid
-
ME712759
439227
C00408
-
-
D-(+)-Pyroglutamic Acid
-
ME712734
439685
C02237
-
-
cis-4-Hydroxy-D-proline
cis-4-Hydroxy-D-proline
ME712823
440014
C03440
-
-
(+)-syringaresinol
-
ME712966
443023
C10889
-
-
Prolylleucine
Pro-Leu
ME712822
444109
-
-
-
Benzylideneacetone
Benzylideneacetone
ME713015
637759
-
-
-
PEG n14
-
ME713064
656926
-
-
-
Urocanic acid
Urocanic acid
ME712925
736715
C00785
-
-
Ethylenethiourea
-
ME713138
2723650
C14398
-
-
3-Benzoyl-1-[4-(trifluoromethyl)phenyl]-1,4-dihydr...
-
ME712942
2745060
-
-
-
tert-Butyl N-[1-(aminocarbonyl)-3-methylbutyl]carb...
-
ME712849
2818159
-
-
-
Leucylproline
Leu-Pro
ME712940
3977067
-
-
-
Sedanolide
-
ME712909
5018391
-
-
-
ON1225000
-
ME713105
5271566
-
-
-
Prostaglandin J2
PGJ2
ME712999
5280884
-
-
-
2-Arachidonoyl glycerol
MG 20:4
ME712958
5282280
C13856
-
-
5(S)-HpEPE
5S-HpEPE
ME713025
5283194
-
-
-
(9Z)-9-Octadecenamide
Oleamide
ME713127
5283387
C19670
-
-
1-Linoleoyl glycerol
MG 18:2
ME713069
5283469
-
-
-
(E)-Furazolidone
-
ME713216
5323714
C07999
-
-
D-Alanyl-D-alanine
D-Alanyl-D-Alanine
ME713056
5460362
C00993
-
-
N-Acetyl-L-alanyl-L-alanyl-L-alanine
-
ME713196
5483957
-
-
-
Chlorhexidine
Chlorhexidine
ME712915
9552079
C06902
-
-
PPG n5
-
ME712833
9836244
-
-
-
Valylproline
Val-Pro
ME713002
9837272
-
-
-
9-Nitrooleate
9-Nitrooleic acid
ME713204
11645581
-
-
-
PPG n6
-
ME712796
12827208
-
-
-
PPG n7
-
ME712795
12827211
-
-
-
(+/-)8-HEPE
8-HEPE
ME713063
16061128
-
-
-
(+/-)11(12)-EET
11,12-EpETrE
ME713058
40490664
-
-
-
7,8-Bis(hydroxymethyl)-1,4a-dimethyl-3,4,4a,5,6,7-...
-
ME712941
45359408
-
-
-
Methylone
-
ME713125
45789647
C20126
-
-
PPG n10
-
ME712836
87390959
-
-
-
Bis(methylbenzylidene)sorbitol
-
ME712787
90474944
-
-
-
DL-4662
-
ME713116
102144588
-
-
-
1,1,6-Trimethyl-1,2-dihydronaphthalene
-
ME712884
-
-
-
-
11-Aminoundecanoic acid
11-Aminoundecanoic acid
ME712784
-
-
-
-
11-Nitro-1-undecene
-
ME713023
-
-
-
-
1-(1Z-octadecenyl)-2-arachidonoyl-sn-glycero-3-pho...
-
ME712755
-
-
-
-
1,2,4-Butanetriol
2-Deoxyerythritol
ME712890
-
-
-
-
1,2-dioleoyl-sn-glycero-3-phospho-N,N-dimethyletha...
-
ME712843
-
-
-
-
1,3,5-Heptatriene
-
ME713077
-
-
-
-
1-(3-Amino-2,3-dideoxypentofuranosyl)-5-methyl-2,4...
-
ME712891
-
-
-
-
1,4-Nonanediol diacetate
-
ME712965
-
-
-
-
1-(5-Amino-5-carboxypentyl)-5-oxoproline
-
ME712961
-
-
-
-
1-{[5-(hydroxymethyl)-2,5,8a-trimethyl-1,4,4a,5,6,...
-
ME713081
-
-
-
-
1,7,7-Trimethylbicyclo[2.2.1]hept-2-yl formate
-
ME712972
-
-
-
-
1,7-Dihydroxy-12-methyl-13-vinyl-2,10-dioxatetracy...
-
ME713091
-
-
-
-
(17Z,21R)-27-Amino-24-hydroxy-24-oxido-19,23,25-tr...
-
ME712728
-
-
-
-
1-arachidonoyl-sn-glycero-3-phosphoethanolamine
LPE 20:4/0:0
ME712809
-
-
-
-
(1E)-N-Hydroxy-4-(methylsulfanyl)-1-butanimine
-
ME713168
-
-
-
-
1-Hexadecanoylpyrrolidine
-
ME713038
-
-
-
-
1-Nitrosonaphthalene
-
ME713150
-
-
-
-
1-Piperideine
1-Piperideine
ME713112
-
-
-
-
(1R,2R,6R,9R)-2,11,11-trimethyl-3-oxotricyclo[4.3....
-
ME713106
-
-
-
-
2-(2-Ethoxyethoxy)ethanol
-
ME713029
-
-
-
-
2,2'-Iminodipropan-1-ol
-
ME712735
-
-
-
-
2,3-Dihydroxybutanamide
-
ME712991
-
-
-
-
2-(3-phenylpropyl)oxolane
-
ME712828
-
-
-
-
2,4,6-Octatriyn-1-ol
-
ME713103
-
-
-
-
2,6-Diamino-4-hexenoic acid
-
ME712852
-
-
-
-
2-amino-2,3,7-trideoxy-D-lyxo-hept-6-ulosonic acid
2-Amino-2,3,7-trideoxy-D-threo-hept-6-ulosonic acid
ME713198
-
-
-
-
2-Amino-4-[(4-aminobutyl)amino]butanoic acid
-
ME712877
-
-
-
-
2-Amino-4-methylpyrimidine
-
ME712935
-
-
-
-
2-Butenedioic acid (2Z)-, dioctyl ester
-
ME713084
-
-
-
-
2'-Deoxycytidine
Deoxycytidine
ME712762
-
-
-
-
2-(Diethoxymethyl)furan
-
ME712793
-
-
-
-
2-Dimethylamino-5,6-dimethyl-4-hydroxypyrimidine
-
ME712914
-
-
-
-
(2E)-3-(3-Hydroxyphenyl)acrylaldehyde
-
ME713120
-
-
-
-
(2E)-3-(Carbamimidoylsulfanyl)acrylic acid
-
ME712978
-
-
-
-
(2E,4Z,12E)-1-(1-Piperidinyl)-2,4,12-octadecatrien...
-
ME712819
-
-
-
-
(2E,6Z)-N-Cyclopropyl-2,6-nonadienamide
-
ME713110
-
-
-
-
2-Hydroxy-N-(2-hydroxyethyl)propionamide
-
ME713066
-
-
-
-
2-Isobutyl-3-methylpyrazine
-
ME713053
-
-
-
-
2-methoxyacetaminophen sulfate
2-Methoxyacetaminophen sulfate
ME713200
-
-
-
-
(2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2...
-
ME712764
-
-
-
-
(2R,3S)-3-Hydroxy-8-methyl-8-azabicyclo[3.2.1]octa...
-
ME712900
-
-
-
-
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-(2-phenyletho...
-
ME713163
-
-
-
-
(2S)-2-({[(3S,4S,5R)-2,3,4-Trihydroxy-5-(hydroxyme...
-
ME713060
-
-
-
-
(2S)-2-Amino-4-hexynoic acid
-
ME713158
-
-
-
-
(2S)-2-Amino-8-hydroxyoctanoic acid
-
ME712952
-
-
-
-
(2S)-2-Piperazinecarboxamide
-
ME713008
-
-
-
-
(2S)-3-Hydroxy-2-({[(3S,4S,5R)-2,3,4-trihydroxy-5-...
-
ME713043
-
-
-
-
(2S)-4-Acetamido-2-aminobutanoic acid
-
ME713083
-
-
-
-
2-(tert-butyl)-1,3-thiazolane-4-carboxylic acid
-
ME712851
-
-
-
-
3-[(1S)-2-Cyclohexen-1-yl]-L-alanine
-
ME713078
-
-
-
-
3-{2-[(1R,4aS,5R,6R,8aS)-6-hydroxy-5-(hydroxymethy...
-
ME713032
-
-
-
-
3-(3,4-dihydroxyphenyl)propanoic acid
3,4-Dihydroxyhydrocinnamic acid
ME712858
-
-
-
-
3,4-Dihydroxy-5-(3-methyl-2-buten-1-yl)-2-(4-methy...
-
ME713021
-
-
-
-
3-Acetyl-2,7-naphthyridine
-
ME712761
-
-
-
-
(3beta,14beta,25R)-Cholesta-5,8-diene-3,26-diol
-
ME712835
-
-
-
-
(3beta)-20-Oxopregna-5,7,9(11)-triene-3,21-diyl di...
-
ME713092
-
-
-
-
(3beta,4alpha,5alpha)-3-Hydroxy-4,14-dimethylchole...
-
ME712854
-
-
-
-
3-Buten-1-amine
3-Buten-1-amine
ME712946
-
-
-
-
3-(Butylsulfinyl)-L-alanin
-
ME713206
-
-
-
-
3-dehydrosphingosine
-
ME713167
-
-
-
-
3-Ethylphenol
-
ME712955
-
-
-
-
3-Hydroxy-2,4,5-pyridinetrimethanol
-
ME713074
-
-
-
-
3-Hydroxy-5-methoxy-6-methyl-2,3-dihydro-4H-pyran-...
-
ME713194
-
-
-
-
3-Hydroxytridecanoic acid
-
ME712945
-
-
-
-
3-Methyl-1-phenyl-2-butene
-
ME713140
-
-
-
-
3-Methylcyclohexanethiol
-
ME713049
-
-
-
-
3-Methylcyclopentene
-
ME712775
-
-
-
-
3-Methylsulfolene
-
ME712749
-
-
-
-
{3-Oxo-2-[(2E)-2-penten-1-yl]-1-cyclopenten-1-yl}a...
-
ME713160
-
-
-
-
(3R,6aR,7S,12aS)-5,6,6a,7,8-pentahydroxy-3-methyl-...
-
ME712800
-
-
-
-
(3S,6S)-3-(Hydroxymethyl)-6-{4-[(3-methyl-2-buten-...
-
ME713134
-
-
-
-
3-Thiomorpholinecarboxylic acid
Thiomorpholine-3-carboxylic acid
ME712927
-
-
-
-
(3Z)-3-Methyl-3-decenoic acid
-
ME712779
-
-
-
-
4-[(3-Acetamidopropyl)amino]butanoic acid
N-Acetylisoputreanine
ME712923
-
-
-
-
4,4'-Bipyridine
-
ME713080
-
-
-
-
4,4'-dimethoxy[1,1'-biphenyl]-2-carbonitrile
-
ME712929
-
-
-
-
4-Amino-DL-phenylalanine
-
ME713208
-
-
-
-
(4E)-2-Amino-3-oxo-4-nonenoic acid
-
ME713037
-
-
-
-
4-Hydroxyprolylleucine
-
ME713028
-
-
-
-
4-Isobutyl-2,6-dimethyl-1,3,5-dithiazinane
-
ME713018
-
-
-
-
4-Methyleneglutamine
4-Methylene-glutamine
ME712861
-
-
-
-
(4R,5R)-2,3,4,5-Tetrahydroxy-5-(hydroxymethyl)-2-c...
-
ME713222
-
-
-
-
4-(Stearoylamino)butanoic acid
-
ME712934
-
-
-
-
4-Sulfanyldihydro-3(2H)-furanone
-
ME712994
-
-
-
-
5-(6-hydroxy-6-methyloctyl)-2,5-dihydrofuran-2-one
-
ME712769
-
-
-
-
5-Butyloxazole
-
ME712847
-
-
-
-
5-Methyl-2-octyl-3(2H)-furanone
-
ME712778
-
-
-
-
5-Methylcytidine
5-Methylcytidine
ME712848
-
-
-
-
5-methylthioribose
5-Methylthioribose
ME713011
-
-
-
-
6-[2-Formyl-5-(hydroxymethyl)-1H-pyrrol-1-yl]norle...
-
ME713109
-
-
-
-
6-keto Prostaglandin F1?
-
ME713046
-
-
-
-
6-Methyl[1,2,4]triazolo[4,3-b]pyridazin-8-ol
-
ME712803
-
-
-
-
6-Oxo-pipecolinic acid
-
ME713016
-
-
-
-
(6Z)-6-Tetradecene-1,3-diyne-5,8-diol
-
ME713119
-
-
-
-
7a-Hydroxy-3,6-dimethyl-5,6,7,7a-tetrahydro-1-benz...
-
ME713117
-
-
-
-
7-Mercaptoheptanoylthreonine
-
ME713183
-
-
-
-
7-(tert-butyl)-4-imino-1,2,3,4,5,6-hexahydropyrido...
-
ME712818
-
-
-
-
8-Azabicyclo[3.2.1]octan-3-ol
-
ME712986
-
-
-
-
8-Azabicyclo[3.2.1]octane-1,2,3,4-tetrol
-
ME713115
-
-
-
-
8-Azabicyclo[3.2.1]octane-1,2,4,7-tetrol
-
ME713145
-
-
-
-
9-Oxohexadecanoic acid
-
ME712962
-
-
-
-
(9R)-6-Hydroxy-6-oxido-12-oxo-5,7,11-trioxa-2-aza-...
-
ME712866
-
-
-
-
acetoacetic acid
Acetoacetic acid
ME712980
-
-
-
-
ACETYL PROLINE
-
ME713042
-
-
-
-
acetyltaurine
-
ME713174
-
-
-
-
afegostat
-
ME713039
-
-
-
-
a-Lactose
-
ME712964
-
-
-
-
ala-cys
Ala-Cys
ME713010
-
-
-
-
ALA-PRO
Ala-Pro
ME713114
-
-
-
-
Allantoic acid
Allantoic acid
ME713210
-
-
-
-
Allantoin
Allantoin
ME712841
-
-
-
-
alpha-methylstyrene
-
ME713073
-
-
-
-
Alvameline
-
ME713026
-
-
-
-
Amorolfine
-
ME713133
-
-
-
-
apronalide
-
ME713094
-
-
-
-
Benzoxazolone
2-Benzoxazolol
ME712774
-
-
-
-
Benzoyl-y-tropeine
-
ME713054
-
-
-
-
Bethanidine
-
ME713022
-
-
-
-
biotinamide
Biotin amide
ME712862
-
-
-
-
Bis(3,5,5-trimethylhexyl) phthalate
-
ME713041
-
-
-
-
butoctamide
-
ME712932
-
-
-
-
C16 Lactosylceramide (d18:1/16:0)
-
ME712918
-
-
-
-
C8-HSL
-
ME713185
-
-
-
-
Cadaverine
Cadaverine
ME713090
-
-
-
-
capuride
-
ME713085
-
-
-
-
(+)-castanospermine
Castanospermine
ME713034
-
-
-
-
CI-976
-
ME712921
-
-
-
-
cis-2-Carboxycyclohexyl-acetic acid
cis-2-Carboxycyclohexyl-acetic acid
ME713191
-
-
-
-
Crotanecine
Crotanecine
ME713065
-
-
-
-
CY9070000
-
ME713132
-
-
-
-
Cyclopamine
Cyclopamine
ME712788
-
-
-
-
CYCLO(-SER-TYR)
Cyclo(Ser-Tyr)
ME713062
-
-
-
-
Cyprodenate
-
ME712781
-
-
-
-
cys-asn
Cys-Asn
ME713219
-
-
-
-
Cys-pro
Cys-Pro
ME713006
-
-
-
-
dacisteine
-
ME713087
-
-
-
-
D-a-Tocopherol
-
ME712811
-
-
-
-
Deanol
Dimethylethanolamine
ME712771
-
-
-
-
delta-guanidinovaleric acid
DGVA
ME713162
-
-
-
-
Diethanolamine
Diethanolamine
ME712814
-
-
-
-
Diethylamine
-
ME712873
-
-
-
-
diethylcarbamazine
-
ME713130
-
-
-
-
(Dimethylamino)acetaldehyde
-
ME713044
-
-
-
-
dimethylformamide
-
ME713214
-
-
-
-
Dipropylene glycol dimethyl ether
-
ME712747
-
-
-
-
Djenkolic Acid
-
ME713104
-
-
-
-
DL-Homoserine
Homoserine
ME712758
-
-
-
-
D-lysopine
-
ME713108
-
-
-
-
Dodec-11-enoic acid
-
ME712801
-
-
-
-
EDDA
-
ME712928
-
-
-
-
(E,E)-2,4-Dodecadienal
-
ME712832
-
-
-
-
Elaeokanine C
Elaeokanine C
ME712896
-
-
-
-
entadamide A
-
ME713197
-
-
-
-
EPK
-
ME713152
-
-
-
-
Eprozinol
-
ME713172
-
-
-
-
ET8750000
-
ME712813
-
-
-
-
Fucosamine
-
ME713093
-
-
-
-
Ginkgotoxin
Ginkgotoxin
ME712970
-
-
-
-
glu-leu
Glu-Leu
ME713189
-
-
-
-
Gly-Lys
Gly-Lys
ME713184
-
-
-
-
GLY-MET
Gly-Met
ME713061
-
-
-
-
Guvacine
Guvacine
ME712824
-
-
-
-
hexahydro-2-oxo-1h-thieno(3,4-d)imidazole-4-pentan...
-
ME712869
-
-
-
-
Hexylbenzene
-
ME712919
-
-
-
-
HMBA
-
ME713207
-
-
-
-
Homo-L-arginine
Homoarginine
ME712882
-
-
-
-
Hypotaurocyamine
Hypotaurocyamine
ME712996
-
-
-
-
γ-Glu-Gly
gamma-Glutamylglycine
ME713169
-
-
-
-
Idrocilamide
-
ME713182
-
-
-
-
ile-phe
Ile-Phe
ME713186
-
-
-
-
Imidazole-4-acetaldehyde
Imidazole-4-acetaldehyde
ME712904
-
-
-
-
Istamycin C1
-
ME712855
-
-
-
-
lavoltidine
-
ME713079
-
-
-
-
L-Cysteinylglycine disulfide
Cysteinylglycine disulfide
ME712920
-
-
-
-
L-decyline
-
ME713199
-
-
-
-
lentiginosine
Lentiginosine
ME712805
-
-
-
-
leucyl-4-hydroxyproline
-
ME713177
-
-
-
-
Leu-Leu
Leu-Leu
ME712886
-
-
-
-
leu-lys
Leu-Lys
ME713195
-
-
-
-
Leu-Val
Leu-Val
ME712772
-
-
-
-
L-Homocysteic acid
Homocysteic acid
ME713188
-
-
-
-
Linoleamide
Linoleamide
ME713072
-
-
-
-
L-(+)-Leucine
Leucine
ME713223
-
-
-
-
LNK
-
ME712834
-
-
-
-
L-Theanine
N(5)-Ethyl-glutamine
ME712879
-
-
-
-
LU3453000
-
ME712827
-
-
-
-
Luciduline
Luciduline
ME712880
-
-
-
-
(-)-Lupinine
Lupinine
ME713096
-
-
-
-
Methamphetamine tert-butyl carbamate
-
ME713099
-
-
-
-
METIPRANOLOL
Metipranolol
ME712917
-
-
-
-
met-pro
Met-Pro
ME712922
-
-
-
-
MFCD00025555
-
ME713003
-
-
-
-
MFCD01318772
-
ME712916
-
-
-
-
N~2~-Acetyl-L-ornithine
N-Acetylornithine
ME713004
-
-
-
-
N-(2-Amino-4-methylpentanoyl)glutamine
-
ME713123
-
-
-
-
N-(2-Cyanoethyl)-L-glutamine
gamma-Glutamyl-beta-aminopropiononitrile
ME712990
-
-
-
-
N-(2-Methoxybenzoyl)glycine
-
ME713048
-
-
-
-
N-[(2S,3R,4E)-1-{[4-O-(beta-D-Galactopyranosyl)-be...
-
ME712744
-
-
-
-
N-(3,4-Dihydroxyphenyl)glutamine
-
ME712899
-
-
-
-
N3,N4-Dimethyl-L-arginine
-
ME712810
-
-
-
-
N-[(5E)-5-Heptenoyl]glycine
-
ME713209
-
-
-
-
N6-Acetyl-L-lysine
N6-Acetyllysine
ME713014
-
-
-
-
N6-METHYLLYSINE
N(6)-Methyllysine
ME712905
-
-
-
-
N-Acetyl-a-D-glucosamine
-
ME713136
-
-
-
-
N-Acetyl-ala-ala-ala-methylester
-
ME713075
-
-
-
-
N-Acetyl-b-D-glucosamine
-
ME713118
-
-
-
-
N-acetyl-L-2-aminoadipic acid
N-Acetyl-2-aminoadipic acid
ME712887
-
-
-
-
N-Acetyl-L-carnosine
N-Acetylcarnosine
ME712968
-
-
-
-
n-Amylbenzene
-
ME712926
-
-
-
-
n-Hexanamide
-
ME713126
-
-
-
-
Nitrosoguvacoline
-
ME713101
-
-
-
-
Nitrosoheptamethyleneimine
-
ME713187
-
-
-
-
N-lauroylglycine
NAGly 12:0
ME712938
-
-
-
-
N-Methylglutamate
N-Methyl-glutamic acid
ME713178
-
-
-
-
N-Methylglutamine
-
ME713082
-
-
-
-
N,N-Bis(2-hydroxyethyl)formamide
-
ME712948
-
-
-
-
N,N-Dihydroxy-L-tryptophan
-
ME712969
-
-
-
-
N-Nonanoylglycine
N-Nonanoylglycine
ME712992
-
-
-
-
N-OLEOYL-4-AMINOBUTYRIC ACID
-
ME713051
-
-
-
-
NP-001346
-
ME712953
-
-
-
-
NP-002854
-
ME713055
-
-
-
-
NP-004036
-
ME712878
-
-
-
-
NP-011548
-
ME712954
-
-
-
-
NP-016455
-
ME713170
-
-
-
-
NP-017152
-
ME713020
-
-
-
-
NP-018660
-
ME712752
-
-
-
-
NP-019722
-
ME713143
-
-
-
-
NP-020014
-
ME712949
-
-
-
-
NP-020454
-
ME712939
-
-
-
-
NP-021797
-
ME712936
-
-
-
-
NP-022512
-
ME712883
-
-
-
-
n-propylbenzene
-
ME713070
-
-
-
-
n-Ribosylhistidine
N-Ribosylhistidine
ME712950
-
-
-
-
N-(tert-Butoxycarbonyl)-L-leucine
-
ME712727
-
-
-
-
Nudifloramide
-
ME712777
-
-
-
-
N-Undecanoylglycine
N-Undecanoylglycine
ME712742
-
-
-
-
nylon cyclic dimer
-
ME712933
-
-
-
-
OI1695000
-
ME713173
-
-
-
-
oxazolidinone
-
ME713068
-
-
-
-
Palmitic Acid
Palmitic acid
ME713113
-
-
-
-
Panthenyl ethyl ether
-
ME712902
-
-
-
-
pentabamate
-
ME713202
-
-
-
-
pentahomomethionine
Pentahomomethionine
ME713089
-
-
-
-
phe-lys
Phe-Lys
ME713176
-
-
-
-
Phenol, 3-(2-(1,1-dimethylethyl)-3-methyl-5-oxazol...
-
ME713175
-
-
-
-
phenylpropiolic acid
Phenylpropiolic acid
ME713124
-
-
-
-
phosphonoacetaldehyde
Phosphonoacetaldehyde
ME712857
-
-
-
-
p-Hydroxybenzalacetone
-
ME713137
-
-
-
-
Pivagabine
Pivagabine
ME712975
-
-
-
-
pro-cys
Pro-Cys
ME712797
-
-
-
-
pro-met
Pro-Met
ME712983
-
-
-
-
Pro-Pro
Pro-Pro
ME713144
-
-
-
-
Propyl (9E)-12-hydroxy-9-octadecenoate
-
ME712979
-
-
-
-
Prostaglandin E2
PGE2
ME713040
-
-
-
-
Purinol
-
ME712971
-
-
-
-
(R)-3-hydroxybutyrylcarnitine
CAR 4:0;3OH
ME712825
-
-
-
-
S-3-oxodecanoyl cysteamine
-
ME712984
-
-
-
-
salinosporamide D
-
ME713164
-
-
-
-
S-Allyl-L-cysteine
S-Allylcysteine
ME712782
-
-
-
-
S-Methyl [(1-methoxy-1H-indol-3-yl)methyl]carbamot...
-
ME713155
-
-
-
-
Sodium [dodecanoyl(methyl)amino]acetate
-
ME712897
-
-
-
-
S-OXY CYSTEINE
-
ME713019
-
-
-
-
Sphingosine (d18:1)
Sphingosine
ME712874
-
-
-
-
streptidine
Streptidine
ME712763
-
-
-
-
Styrene
Styrene
ME713027
-
-
-
-
Supinine
-
ME713212
-
-
-
-
S-(-)-Willardiine
(S)-Willardiine
ME712754
-
-
-
-
Tandospirone
-
ME713111
-
-
-
-
Tegaserod
Tegaserod
ME712931
-
-
-
-
Tetraacetylethylenediamine
Tetraacetylethylenediamine
ME713098
-
-
-
-
Tetrahydro-5-oxo-2-furanacetic acid
-
ME712844
-
-
-
-
Tetramethylurea
-
ME713122
-
-
-
-
Thiorphan
Thiorphan
ME713141
-
-
-
-
Threonylleucine
Thr-Leu
ME713171
-
-
-
-
thr-lys
Thr-Lys
ME713201
-
-
-
-
thr-pro
Thr-Pro
ME712906
-
-
-
-
Timonacic
-
ME712786
-
-
-
-
trans-3-Indoleacrylic acid
-
ME712760
-
-
-
-
Triethylamine
Triethylamine
ME712743
-
-
-
-
trihomomethionine
Trihomomethionine
ME713218
-
-
-
-
Trimethylamine N-oxide
Trimethylamine N-oxide
ME712765
-
-
-
-
Tris(hydroxymethyl)aminomethane
2-Amino-2-methylol-propane-1,3-diol
ME712766
-
-
-
-
Trp-Val
Trp-Val
ME713161
-
-
-
-
Tussilagine
Tussilagine
ME712993
-
-
-
-
val-asn
Val-Asn
ME713151
-
-
-
-
Val-lys
Val-Lys
ME712943
-
-
-
-
Val-Ser
Val-Ser
ME713217
-
-
-
-
Valylglutamine
Val-Gln
ME712885
-
-
-
-
Valylvaline
Val-Val
ME712956
-
-
-
-
vinylglycine
-
ME712907
-
-
-
-
Analysis: HILIC NEGATIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
5-Aminovaleric acid
5-Aminopentanoic acid
ME713236
138
C00431
-
-
Adenine
Adenine
ME713370
190
C00147
-
-
Adipic acid
Adipic acid
ME713351
196
C06104
-
-
DL-Arginine
Arginine
ME713353
232
C02385
-
-
Benzoic acid
Benzoic acid
ME713247
243
C00180
-
-
Salicylic acid
Salicylic acid
ME713422
338
C00805
-
-
Ornithine
Ornithine
ME713399
389
C01602
-
-
3-Hydroxybutyric acid
3-Hydroxybutyric acid
ME713307
441
-
-
-
DL-Mevalonic acid
-
ME713443
449
-
-
-
2-Aminoadipic acid
alpha-Aminoadipic acid
ME713366
469
-
-
-
Methylmalonic acid
Methylmalonic acid
ME713250
487
C02170
-
-
Creatine
Creatine
ME713304
586
C00300
-
-
DL-Alanine
Alanine
ME713253
602
C01401
-
-
DL-Lactic Acid
-
ME713229
612
C01432
-
-
Glycolic acid
Glycolic acid
ME713340
757
C00160
-
-
Guanine
Guanine
ME713448
764
C00242
-
-
Itaconic acid
Itaconic acid
ME713450
811
C00490
-
-
DL-Lysine
Lysine
ME713267
866
C16440
-
-
Oleic acid
Oleic acid
ME713415
965
C00712
-
-
Orotic acid
Orotic acid
ME713381
967
C00295
-
-
4-Nitrophenol
4-Nitrophenol
ME713327
980
C00870
-
-
Pyruvic acid
Pyruvic acid
ME713342
1060
C00022
-
-
Carbocysteine
S-Carboxymethyl-cysteine
ME713310
1080
-
-
-
Succinic acid
Succinic acid
ME713296
1110
C00042
-
-
Taurine
Taurine
ME713225
1123
C00245
-
-
DL-Tryptophan
Tryptophan
ME713261
1148
C00806
-
-
Uracil
Uracil
ME713349
1174
C00106
-
-
Xanthine
Xanthine
ME713227
1188
C00385
-
-
3-Hydroxy-3-methylglutaric acid
3-Hydroxymethylglutaric acid
ME713324
1662
C03761
-
-
Meglutol
3-Hydroxymethylglutaric acid
ME713397
1662
C03761
-
-
Aminohippuric acid
Aminohippuric acid
ME713444
2148
-
-
-
Azelaic acid
Azelaic acid
ME713428
2266
C08261
-
-
Hydrochlorothiazide
Hydrochlorothiazide
ME713268
3639
-
-
-
4-Chlorophenol
4-Chlorophenol
ME713423
4684
-
-
-
4-phenolsulfonic acid
-
ME713263
4765
C12849
-
-
PHENYLBUTYRIC ACID
Phenylbutyric acid
ME713331
4775
-
-
-
Myristyl sulfate
-
ME713299
5248
-
-
-
L-(+)-Aspartic acid
Aspartic acid
ME713452
5960
C00049
-
-
Sucrose
Sucrose
ME713302
5988
C00089
-
-
L-Tyrosine
Tyrosine
ME713244
6057
C00082
-
-
L-(-)-methionine
Methionine
ME713257
6137
C00073
-
-
L-Phenylalanine
Phenylalanine
ME713243
6140
C00079
-
-
L-(-)-Asparagine
Asparagine
ME713286
6267
C00152
-
-
L-Histidine
Histidine
ME713246
6274
C00135
-
-
L-(-)-Threonine
Threonine
ME713315
6288
C00188
-
-
Acrylic acid
Acrylic acid
ME713358
6581
C00511
-
-
Isobutyric acid
Isobutyric acid
ME713447
6590
C02632
-
-
D-PANTOTHENIC ACID
Pantothenic acid
ME713234
6613
C00864
-
-
NS1800000
-
ME713383
6723
C00847
-
-
3-Methylsalicylic acid
-
ME713438
6738
C14088
-
-
D-Glucono-delta-lactone
-
ME713336
7027
C00198
-
-
Sulfosalicylic Acid
Sulfosalicylic acid
ME713287
7322
-
-
-
Cyclamic acid
Cyclamic acid
ME713432
7533
C02824
-
-
Valeric acid
Valeric acid
ME713414
7991
C00803
-
-
Nonanoic acid
Pelargonic acid
ME713294
8158
C01601
-
-
2-Methylbenzoic acid
-
ME713343
8373
C07215
-
-
2-Naphthalenesulfonic acid
-
ME713419
8420
C16202
-
-
4-Dodecylbenzenesulfonic acid
4-Dodecylbenzenesulfonic acid
ME713258
8485
-
-
-
Isophthalic acid
-
ME713228
8496
-
-
-
Bicine
-
ME713293
8761
-
-
-
Dodecyl sulfate
Blasticidin S
ME713264
8778
C08031
-
-
Meso-erythritol
Erythritol
ME713322
8998
-
-
-
2-Hydroxyhippuric acid
Salicyluric acid
ME713339
10253
C07588
-
-
Indoxyl sulfate
Indoxyl sulfate
ME713300
10258
-
-
-
Methylsuccinic acid
Methylsuccinic acid
ME713362
10349
-
-
-
Suberic acid
Suberic acid
ME713445
10457
C08278
-
-
Aceturic acid
N-Acetylglycine
ME713364
10972
-
-
-
Levulinic acid
Levulinic acid
ME713284
11579
-
-
-
Ethylmalonic acid
Ethylmalonic acid
ME713363
11756
-
-
-
3,4-Dimethylbenzoic acid
3,4-Dimethylbenzoic acid
ME713305
12073
-
-
-
Tetradecanedioic acid
Tetradecanedioic acid
ME713473
13185
-
-
-
6-Hydroxycaproic acid
6-Hydroxycaproic acid
ME713318
14490
C06103
-
-
Xylenesulfonate
-
ME713426
14756
-
-
-
4-Acetamidobenzoic acid
4-Acetamidobenzoic acid
ME713230
19266
-
-
-
Monomethyl phthalate
Monomethyl phthalate
ME713323
20392
-
-
-
3,3-Dimethylglutaric acid
-
ME713401
20984
-
-
-
MC0555300
-
ME713407
21863
-
-
-
N-Methyl-<scp>D</scp>-aspartic acid
-
ME713239
22880
C12269
-
-
Zalcitabine
Zalcitabine
ME713391
24066
C07207
-
-
Myrmicacin
-
ME713386
26612
-
-
-
1,5-anhydroglucitol
1,5-Anhydrosorbitol
ME713262
64960
C07326
-
-
N-Acetylaspartic acid
N-Acetylaspartic acid
ME713352
65065
C01042
-
-
Phenylacetylglycine
Phenylacetylglycine
ME713255
68144
C05598
-
-
Guanidinoethyl Sulfonate
Taurocyamine
ME713288
68340
C01959
-
-
Acamprosate
Acamprosate
ME713376
71158
-
-
-
2,2-Bis(hydroxymethyl)propionic acid
-
ME713360
78501
-
-
-
Capryloylglycine
Capryloylglycine
ME713469
84290
-
-
-
Ac-Ala-OH
N-Acetylalanine
ME713316
88064
-
-
-
N-Acetylalanine
N-Acetylalanine
ME713281
88064
-
-
-
Ne-Acetyllysine
N6-Acetyllysine
ME713314
92832
C02727
-
-
Glycyl-L-leucine
Gly-Leu
ME713456
92843
C02155
-
-
1-Methyl-3,6-(1H,2H)-pyridazinedione
-
ME713400
95157
-
-
-
O-Acetyl-L-serine
O-Acetylserine
ME713409
99478
C00979
-
-
Hydroxycaproic acid
Hydroxycaproic acid
ME713421
99824
-
-
-
Acetylarginine
N-Acetylarginine
ME713451
102807
-
-
-
D-(-)-Glutamine
D-Glutamine
ME713235
145815
C00819
-
-
3-Methylcrotonylglycine
3-Methylcrotonylglycine
ME713441
169485
-
-
-
Aceglutamide
N-Acetylglutamic acid
ME713365
182230
-
-
-
MFCD12546417
-
ME713392
189003
C06674
-
-
N-Acetylnorvaline
-
ME713292
306106
-
-
-
2-(Acetylamino)hexanoic acid
-
ME713341
306142
-
-
-
N-Ethylglycine
N-Ethylglycine
ME713457
316542
C11735
-
-
4-Indolecarbaldehyde
Indole-4-carboxaldehyde
ME713436
333703
-
-
-
4-Oxoproline
4-Oxo-proline
ME713233
413589
C01877
-
-
(2R)-2,3-Dihydroxypropanoic acid
Glyceric acid
ME713279
439194
C00258
-
-
L-(+)-Tartaric acid
Tartaric acid
ME713273
444305
-
-
-
Arachidonic acid
Arachidonic acid
ME713231
444899
C00219
-
-
Imidazolelactic acid
Imidazolelactic acid
ME713249
459122
-
-
-
3-Methylhistidine
3-Methylhistidine
ME713283
565965
-
-
-
Mesaconic acid
Mesaconic acid
ME713332
638129
C01732
-
-
Urocanic acid
Urocanic acid
ME713389
736715
C00785
-
-
CAPSO
-
ME713427
2733480
-
-
-
Linoleic acid
Linoleic acid
ME713405
5280450
C01595
-
-
11-Eicosenoic acid
cis-Gondoic acid
ME713375
5282768
-
-
-
L-Iditol
L-Iditol
ME713270
5460044
C01507
-
-
D-Alanyl-D-alanine
D-Alanyl-D-Alanine
ME713290
5460362
C00993
-
-
Pregabalin
Pregabalin
ME713311
5486971
-
-
-
Adrenic acid
Adrenic acid
ME713278
5497181
C16527
-
-
Tiglylglycine
Tiglylglycine
ME713393
6441567
-
-
-
3,12-Dihydroxy-13-methoxypodocarpa-8,11,13-trien-7...
-
ME713433
14191448
-
-
-
8-iso-15-keto Prostaglandin E2
-
ME713429
16061134
-
-
-
2-[(2S,4aR,8aS)-2-Hydroxy-4a-methyl-8-methylenedec...
-
ME713430
23757244
-
-
-
13,14-dihydro-15-keto-tetranor Prostaglandin D2
13,14-Dihydro-15-keto-tetranor-PGD2
ME713371
44600450
-
-
-
10-oxocapric acid
-
ME713346
-
-
-
-
(±)11(12)-EET
11,12-EpETrE
ME713442
-
-
-
-
(±)-1-Octen-3-ol
-
ME713470
-
-
-
-
2,3,4,5-Tetrahydroxypentanal
-
ME713326
-
-
-
-
240I539PWQ
-
ME713254
-
-
-
-
(2,4-Dihydroxyphenyl)(oxo)acetic acid
-
ME713431
-
-
-
-
2-Acetamido-2-deoxy-D-gluconolactone
-
ME713446
-
-
-
-
2-(acetylamino)-4-(methylthio)butanoic acid
-
ME713373
-
-
-
-
2-amino-2,3,7-trideoxy-D-lyxo-hept-6-ulosonic acid
2-Amino-2,3,7-trideoxy-D-threo-hept-6-ulosonic acid
ME713465
-
-
-
-
2-Amino-6-(1,2,3-trihydroxypropyl)-7,8-dihydro-4(1...
-
ME713285
-
-
-
-
2-Hydroxy-1,4-naphthoquinone
-
ME713416
-
C10368
-
-
2-keto-3-deoxygluconate
2-Dehydro-3-deoxy-D-gluconic acid
ME713297
-
-
-
-
2-methoxyacetaminophen sulfate
2-Methoxyacetaminophen sulfate
ME713395
-
-
-
-
3-[4-methyl-1-(2-methylpropanoyl)-3-oxocyclohexyl]...
-
ME713437
-
-
-
-
3-acetamidopropanal
Acetamidopropanal
ME713232
-
-
-
-
3D-3,5/4-trihydroxycyclohexane-1,2-dione
-
ME713462
-
-
-
-
3-Isopropenylpentanedioic acid
-
ME713417
-
-
-
-
3-Keto-scyllo-inosamine
-
ME713408
-
-
-
-
3-Methylazelaic acid
-
ME713463
-
-
-
-
3-(METHYLNITROSAMINO)PROPIONITRILE
-
ME713237
-
-
-
-
3-Oxooctanoic acid
-
ME713379
-
-
-
-
3-Sulfamoylalanine
-
ME713344
-
-
-
-
4,5-dioxovaleric acid
-
ME713319
-
-
-
-
4-ethylphenylsulfonic acid
-
ME713303
-
-
-
-
4-Hydroxy-2-oxoglutaric acid
4-Hydroxy-2-oxoglutaric acid
ME713354
-
-
-
-
4-Hydroxy-2-oxoheptanedioic acid
4-Hydroxy-2-oxo-heptanedioic acid
ME713265
-
-
-
-
4-Hydroxy-L-threonine
4-Hydroxythreonine
ME713348
-
-
-
-
4-(Hydroxymethyl)benzenesulfonic acid
-
ME713301
-
-
-
-
4-Undecylbenzenesulfonic acid
-
ME713259
-
-
-
-
5-amino-6-(5-phospho-D-ribitylamino)uracil
5-Amino-6-(5-Phospho-D-ribitylamino)uracil
ME713472
-
-
-
-
5-(L-Alanin-3-yl)-2-hydroxy-cis,cis-muconate 6-sem...
-
ME713413
-
-
-
-
(5Z,8Z)-5,8-Tetradecadienoic acid
-
ME713434
-
-
-
-
6-Oxohexanoic acid
-
ME713356
-
-
-
-
7-Oxoheptanoic acid
-
ME713387
-
-
-
-
7Z,10Z-Hexadecadienoic acid
7Z,10Z-Hexadecadienoic acid
ME713435
-
-
-
-
9-Oxononanoic acid
9-Oxo-nonanoic acid
ME713403
-
-
-
-
acetylserine
O-Acetylserine
ME713390
-
-
-
-
acetyltaurine
-
ME713359
-
-
-
-
a-Cyano-3-hydroxycinnamic acid
-
ME713325
-
-
-
-
a-Cyano-4-hydroxycinnamic acid
-
ME713321
-
-
-
-
afegostat
-
ME713289
-
-
-
-
Agrocybin
-
ME713380
-
-
-
-
AJ4900000
-
ME713466
-
-
-
-
Butobarbital
-
ME713260
-
-
-
-
Butyl butyryllactate
-
ME713440
-
-
-
-
cystine
Cystine
ME713308
-
-
-
-
dacisteine
-
ME713404
-
-
-
-
Deferiprone
-
ME713455
-
-
-
-
D-(-)-Erythrose
Erythrose
ME713241
-
-
-
-
Dichloroacetic acid
Dichloroacetic acid
ME713398
-
-
-
-
Dihomo-?-Linolenic Acid
Dihomo-gamma-linolenic acid
ME713306
-
-
-
-
DL-Glutamic acid
Glutamic acid
ME713355
-
-
-
-
DL-ß-Leucine
Leucine
ME713240
-
-
-
-
D-Saccharolactone
-
ME713312
-
-
-
-
Eritadenine
-
ME713420
-
-
-
-
Ethyl sulfate
-
ME713252
-
-
-
-
Glutaurine
-
ME713454
-
-
-
-
glycerol 1,2-cyclic phosphate
-
ME713309
-
-
-
-
Glycerophosphoglycerol
sn-Glycero-3-phosphoglycerol
ME713334
-
-
-
-
Gly-thr
Gly-Thr
ME713337
-
-
-
-
HEPES
-
ME713298
-
-
-
-
Hexitol
Sorbitol
ME713347
-
-
-
-
Hexose
Hexose
ME713226
-
-
-
-
his-asp
His-Asp
ME713372
-
-
-
-
Imidazole-4-acetaldehyde
Imidazole-4-acetaldehyde
ME713248
-
-
-
-
L-Alanyl-3-{[(2E)-4-amino-4-oxo-2-butenoyl]amino}-...
-
ME713449
-
-
-
-
Leucylalanine
Leu-Ala
ME713471
-
-
-
-
Leu-Leu
Leu-Leu
ME713453
-
-
-
-
L-Homocysteic acid
Homocysteic acid
ME713357
-
-
-
-
Linoleic Acid
Linoleic acid
ME713245
-
-
-
-
?-Linolenic Acid
Octadecatrienoic acid
ME713329
-
-
-
-
lys-tyr
Lys-Tyr
ME713460
-
-
-
-
Methyl (2E,6Z)-2,6-dodecadienoate
-
ME713439
-
-
-
-
Methyl bisulfate
-
ME713274
-
-
-
-
MFCD00025555
-
ME713467
-
-
-
-
MFCD00057569
-
ME713468
-
-
-
-
MFCD00133175
-
ME713396
-
-
-
-
Myristoleic acid
Myristoleic acid
ME713402
-
-
-
-
N-(1H-Pyrrol-2-ylcarbonyl)glycine
-
ME713328
-
-
-
-
N-(2-Cyanoethyl)-L-glutamine
gamma-Glutamyl-beta-aminopropiononitrile
ME713313
-
-
-
-
N-(2-Hydroxyethyl)glutamine
-
ME713464
-
-
-
-
N-[(2S)-2-Hydroxypropanoyl]glycine
-
ME713345
-
-
-
-
N-[(2S)-2-Hydroxypropanoyl]methionine
-
ME713384
-
-
-
-
N-[(3E)-3-Heptenoyl]glycine
-
ME713458
-
-
-
-
N-Acetyldemethylphosphinothricin tripeptide
-
ME713410
-
-
-
-
N-acetyl-LL-2,6-diaminopimelic acid
-
ME713411
-
-
-
-
n-Butyl lactate
-
ME713368
-
-
-
-
N-methyl-2-oxoglutaramic acid
-
ME713374
-
-
-
-
N-Methylglutamate
N-Methyl-glutamic acid
ME713242
-
-
-
-
N,N-Dihydroxy-L-valine
-
ME713276
-
-
-
-
N-Nonanoylglycine
N-Nonanoylglycine
ME713418
-
-
-
-
Nonanal
Pelargonaldehyde
ME713459
-
-
-
-
NP-018661
-
ME713330
-
-
-
-
N-Tridecanoylglycine
-
ME713361
-
-
-
-
N-Undecanoylglycine
N-Undecanoylglycine
ME713269
-
-
-
-
Oleandrose
-
ME713377
-
-
-
-
Oleic Acid
Oleic acid
ME713251
-
-
-
-
O-propenoyl-D-carnitine
-
ME713338
-
-
-
-
Oxalosuccinic acid
Oxalosuccinic acid
ME713295
-
-
-
-
phe-ile
Phe-Ile
ME713461
-
-
-
-
Phenanthrene
Phenanthrene
ME713275
-
-
-
-
Phenindione
Phenindione
ME713277
-
-
-
-
Phenyl D-glucopyranosiduronic acid
-
ME713291
-
-
-
-
Picolinamide
Picolinamide
ME713378
-
-
-
-
Pivagabine
Pivagabine
ME713406
-
-
-
-
pro-cys
Pro-Cys
ME713266
-
-
-
-
Prostaglandin E2
PGE2
ME713333
-
-
-
-
pyroglutamine
Pyroglutamine
ME713317
-
-
-
-
QV1MVO1R
-
ME713271
-
-
-
-
S-Allyl-L-cysteine
S-Allylcysteine
ME713280
-
-
-
-
ser-pro
Ser-Pro
ME713412
-
-
-
-
ß-Alanine
beta-Alanine
ME713367
-
-
-
-
ß-D-Glucopyranuronic acid
Glucuronic acid
ME713394
-
-
-
-
stilben-4-ol
-
ME713272
-
-
-
-
sulfoacetaldehyde
Sulfoacetaldehyde
ME713282
-
-
-
-
Tauropine
Tauropine
ME713388
-
-
-
-
Tetrahydro-5-oxo-2- furancarboxyli
-
ME713369
-
-
-
-
THREONIC ACID, L-
-
ME713256
-
-
-
-
thr-pro
Thr-Pro
ME713350
-
-
-
-
Timonacic
-
ME713238
-
-
-
-
Traumatic Acid
Traumatic acid
ME713424
-
-
-
-
triacetic acid
Triacetic acid
ME713320
-
-
-
-
Tricine
-
ME713335
-
-
-
-
Trifluoroacetic acid
-
ME713224
-
-
-
-
Tris(hydroxymethyl)aminomethane
2-Amino-2-methylol-propane-1,3-diol
ME713385
-
-
-
-
Valnoctamide
-
ME713425
-
-
-
-
Valylglutamine
Val-Gln
ME713382
-
-
-
-
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