Log in
/
Register
Home
Overview
Upload / Manage Studies
Browse / Search Studies
Analyze Studies
Data Sharing Policy
Tutorials
FAQ
Data Repository
Overview
Upload / Manage Studies
Browse / Search Studies
Analyze Studies
Data Sharing Policy
Tutorials
FAQ
Databases
Overview
Metabolite Database
Human Metabolome Gene/Protein Database (MGP)
RefMet: Reference List of Metabolite Names
External Metabolomics Databases (Links)
Protocols
Overview
General Protocols
Study-specific Protocols
Tools
Overview
Load and analyze your own dataset
Analyze Studies
MS Searches
Structure drawing
REST Service
External Tools (Links)
About
Overview
Publishing Partners
How to Cite
How to Link
Terms of Use
Personnel
Contact
Sitemap
Search
Keyword Search
Advanced Searches
Return to study ST002016 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
11-Aminoundecanoic acid
11-Aminoundecanoic acid
ME464864
-
-
1.718
-
12-Aminododecanoic acid
12-Aminododecanoic acid
ME464866
-
-
10.169
-
1,3-Dicyclohexylurea
1,3-Dicyclohexylurea
ME464859
-
-
10.317
-
Erucamide
13Z-Docosenamide
ME465139
-
-
12.206
-
1,7-Dimethyluric acid
1,7-Dimethyluric acid
ME464861
-
-
4.851
-
1-Aminocyclopropane-1-carboxylate
1-Aminocyclopropanecarboxylic acid
ME464869
-
-
0.979
-
Indole-3-acetamide
1H-Indole-3-acetamide
ME465191
-
-
2.232
-
1-Methyladenosine
1-Methyladenosine
ME464874
-
-
1.943
-
1-Methylhistidine
1-Methylhistidine
ME464875
-
-
0.946
-
1-Methylpyrrolinium
1-Methylpyrrolinium
ME464876
-
-
1.078
-
1-Methyluric acid
1-Methyluric acid
ME464877
-
-
3.309
-
1-Methylxanthine
1-Methylxanthine
ME464878
-
-
3.474
-
1-Pyrroline
1-Pyrroline
ME464883
-
-
1.02
-
1-Pyrroline-2-carboxylate
1-Pyrroline-2-carboxylic acid
ME464884
-
-
5.478
-
2-Acetolactate
2-Acetolactate
ME464899
-
-
1.014
-
Tris(hydroxymethyl)aminomethane
2-Amino-2-methylol-propane-1,3-diol
ME465421
-
-
0.974
-
Anthranilate
2-Aminobenzoic acid
ME465037
-
-
4.51
-
2-Naphthylamine
2-Aminonaphthalene
ME464918
-
-
4.386
-
Furfural
2-Furancarboxaldehyde
ME465152
-
-
1.003
-
Acetonecyanohydrin
2-Hydroxy-2-methylpropanenitrile
ME465018
-
-
2.563
-
2-hydroxyphenylacetic acid
2-Hydroxyphenylacetic acid
ME464908
-
-
2.931
-
2-Hydroxypyridine
2-Hydroxypyridine
ME464909
-
-
2.048
-
2-Hydroxyquinoline
2-Hydroxyquinoline
ME464910
-
-
6.236
-
2-Methylcholine
2-Methylcholine
ME464914
-
-
1.226
-
4-Methylene-2-oxoglutarate
2-Methylene-4-oxopentanedioic acid
ME464983
-
-
2.02
-
2-Methylthiazolidine
2-Methylthiazolidine
ME464917
-
-
1.336
-
(4E)-2-Oxohexenoic acid
2-Oxo-4E-hexenoic acid
ME464847
-
-
4.684
-
2S-Amino-tridecanoic acid
2S-Aminotridecanoic acid
ME464923
-
-
9.735
-
THTA
2-Tetrahydrothiopheneacetic acid
ME465407
-
-
2.186
-
3,4-DIHYDROXYPHENYLGLYCOL
3,4-Dihydroxyphenylglycol
ME464928
-
-
4.454
-
3-Butyn-1-al
3-Butyn-1-al
ME464935
-
-
1.08
-
3-Dehydrocarnitine
3-Dehydrocarnitine
ME464938
-
-
3.632
-
3-Dehydroxycarnitine
3-Dehydroxycarnitine
ME464939
-
-
3.706
-
3-Hydroxyanthranilic acid
3-Hydroxyanthranilic acid
ME464942
-
-
3.818
-
3-METHOXYTYROSINE
3-Methoxytyrosine
ME464948
-
-
2.93
-
3-Methylcrotonylglycine
3-Methylcrotonylglycine
ME464949
-
-
2.272
-
3-Oxalomalate
3-Oxalomalic acid
ME464952
-
-
0.941
-
3-Oxotetradecanoic acid
3-Oxotetradecanoic acid
ME464954
-
-
10.277
-
4-Acetamidobutanoic acid
4-Acetamidobutanoic acid
ME464960
-
-
2.564
-
4-Aminohippuricacid
4-Aminohippuric acid
ME464962
-
-
3.666
-
4-Aminophenol
4-Aminophenol
ME464963
-
-
4.004
-
4-Aminopyridine
4-Aminopyridine
ME464964
-
-
1.127
-
4-Coumarylalcohol
4-Coumaryl alcohol
ME464965
-
-
7.869
-
4-Guanidinobutanoate
4-Guanidinobutanoic acid
ME464969
-
-
1.164
-
4-Hydroxybenzaldehyde
4-Hydroxybenzaldehyde
ME464972
-
-
5.601
-
4-Hydroxy-2-butynal
4-Hydroxybut-2-ynal
ME464971
-
-
0.998
-
4-Hydroxymandelicacid
4-Hydroxymandelic acid
ME464974
-
-
4.267
-
4-Hydroxyphenylacetaldehyde
4-Hydroxyphenylacetaldehyde
ME464975
-
-
3.953
-
4-Imidazolone-5-propanoate
4-Imidazolone-5-propionic acid
ME464977
-
-
1.045
-
4-METHYLCATECHOL
4-Methylcatechol
ME464982
-
-
7.107
-
4-Methylene-L-glutamine
4-Methylene-glutamine
ME464984
-
-
0.973
-
4-Pyridoxic acid
4-Pyridoxic acid
ME464985
-
-
2.918
-
4-Quinolinecarboxylic acid
4-Quinolinecarboxylic acid
ME464986
-
-
5.381
-
Veronal
5,5-Diethylbarbituric acid
ME465432
-
-
2.499
-
Dihydrouridine
5,6-Dihydrouridine
ME465120
-
-
1.06
-
5-Acetylamino-6-amino-3-methyluracil
5-Acetylamino-6-amino-3-methyluracil
ME464990
-
-
2.552
-
5-Aminolevulinate
5-Amino-levulinic acid
ME464992
-
-
0.96
-
5-Aminopentanal
5-Aminopentanal
ME464993
-
-
1.279
-
5-Hydroxyindole-3-acetic acid
5-Hydroxyindoleacetic acid
ME464995
-
-
2.867
-
5-Hydroxyisourate
5-Hydroxyisouric acid
ME464996
-
-
1.768
-
5-Hydroxy-L-tryptophan
5-Hydroxy-tryptophan
ME464997
-
-
2.423
-
5-Methylthio-D-ribose
5-Methylthioribose
ME464998
-
-
1.254
-
5-Valerolactone
5-Valerolactone
ME464999
-
-
1.054
-
6-Hydroxypseudooxynicotine
6-Hydroxypseudooxynicotine
ME465000
-
-
2.387
-
7-Methylxanthosine
7-Methylxanthosine
ME465005
-
-
5.142
-
8-Amino-7-oxononanoate
8-Amino-7-oxononanoic acid
ME465007
-
-
1.232
-
8-hydroxy-7-methylguanine
8-Hydroxy-7-methylguanine
ME465008
-
-
3.267
-
Aceclidine
Aceclidine
ME465015
-
-
3.662
-
Paracetamol
Acetaminophen
ME465344
-
-
4.004
-
Acetoacetate
Acetoacetic acid
ME465016
-
-
1.132
-
Acetylcholine
Acetylcholine
ME465019
-
-
1.094
-
Acycloguanosine
Aciclovir
ME465022
-
-
2.713
-
Ala-Pro
Ala-Pro
ME465026
-
-
3.392
-
Ala-Tyr
Ala-Tyr
ME465027
-
-
4.271
-
alpha-Ribazole
alpha-Ribazole
ME465030
-
-
3.944
-
Alprenolol
Alprenolol
ME465031
-
-
4.98
-
Adenosine 5'-monophosphate
AMP
ME465024
-
-
1.777
-
Aniline
Aniline
ME465034
-
-
2.867
-
Anisole
Anisole
ME465035
-
-
5.382
-
Ankorine
Ankorine
ME465036
-
-
9.748
-
D-Apiitol
Apiitol
ME465101
-
-
1.053
-
ARECOLINE
Arecoline
ME465039
-
-
6.253
-
L-Arginine
Arginine
ME465209
-
-
0.948
-
arg-leu
Arg-Leu
ME465040
-
-
4.761
-
Aripiprazole
Aripiprazole
ME465041
-
-
9.903
-
asp-leu
Asp-Leu
ME465042
-
-
3.954
-
Benzaldehyde
Benzaldehyde
ME465046
-
-
3.061
-
Benzene
Benzene
ME465047
-
-
3.06
-
Benzyl2-methyl-3-oxobutanoate
Benzyl 2-methyl-3-oxobutanoate
ME465050
-
-
9.802
-
Benzyl butyl phthalate
Benzyl butyl phthalate
ME465048
-
-
10.616
-
Beta-Alanine
beta-Alanine
ME465051
-
-
0.999
-
beta-Leucine
beta-Leucine
ME465052
-
-
1.087
-
BiochaninA
Biochanin A
ME465054
-
-
2.216
-
Biotin
Biotin
ME465055
-
-
4.771
-
Butabarbital
Butabarbital
ME465060
-
-
1.768
-
Caffeine
Caffeine
ME465064
-
-
6.073
-
Capryloylglycine
Capryloylglycine
ME465066
-
-
3.284
-
Decanoylcarnitine
CAR 10:0
ME465104
-
-
10.134
-
9-Decenoylcarnitine
CAR 10:1(9)
ME465014
-
-
9.952
-
LAUROYLCARNITINE
CAR 12:0
ME465213
-
-
10.269
-
3-hydroxydodecanoylcarnitine
CAR 12:0;OH
ME464945
-
-
9.786
-
trans-2-Dodecenoylcarnitine
CAR 12:1(2E)
ME465410
-
-
10.213
-
cis-5-Tetradecenoylcarnitine
CAR 14:1
ME465079
-
-
10.314
-
3-Hydroxy-cis-5-tetradecenoylcarnitine
CAR 14:1;OH
ME464943
-
-
10.246
-
3, 5-Tetradecadiencarnitine
CAR 14:2(3,5)
ME464927
-
-
10.259
-
Palmitoylcarnitine
CAR 16:0
ME465342
-
-
10.426
-
(2E)-hexadecenoylcarnitine
CAR 16:1(2E)
ME464843
-
-
10.377
-
9,12-Hexadecadienoylcarnitine
CAR 16:2
ME465013
-
-
10.333
-
Linoleyl carnitine
CAR 18:2
ME465232
-
-
10.415
-
Acetyl-L-carnitine
CAR 2:0
ME465020
-
-
1.369
-
Propionylcarnitine
CAR 3:0
ME465371
-
-
2.309
-
Butyryl-L-carnitine
CAR 4:0
ME465062
-
-
3.225
-
(R)-3-hydroxybutyrylcarnitine
CAR 4:0;3OH
ME464852
-
-
1.947
-
Hexanoylcarnitine
CAR 6:0
ME465170
-
-
6.213
-
Hydroxyhexanoycarnitine
CAR 6:0;OH
ME465183
-
-
4.215
-
L-Octanoylcarnitine
CAR 8:0
ME465237
-
-
9.242
-
(4S)-4-[(2E)-2-Octenoyloxy]-4-(trimethylammonio)bu...
CAR 8:1(2)
ME464848
-
-
7.815
-
Carbamazepine
Carbamazepine
ME465067
-
-
10.007
-
Carbaryl
Carbaryl
ME465069
-
-
4.343
-
GLUTARYLCARNITINE
CAR DC5:0
ME465160
-
-
2.903
-
Carvedilol
Carvedilol
ME465071
-
-
9.58
-
Cerulenin
Cerulenin
ME465073
-
-
2.88
-
Cetirizine
Cetirizine
ME465074
-
-
10.125
-
Cholic acid
Cholic acid
ME465076
-
-
10.58
-
Choline
Choline
ME465077
-
-
0.966
-
Cinnamaldehyde
Cinnamaldehyde
ME465078
-
-
10.583
-
L-Citrulline
Citrulline
ME465215
-
-
0.974
-
Clindamycin
Clindamycin
ME465082
-
-
8.609
-
Coniferylalcohol
Coniferyl alcohol
ME465085
-
-
10.298
-
Coniferylaldehyde
Coniferyl aldehyde
ME465086
-
-
4.19
-
Coumarin
Coumarin
ME465087
-
-
2.146
-
Crotonic acid
Crotonic acid
ME465089
-
-
1.984
-
Cuminaldehyde
Cuminaldehyde
ME465090
-
-
10.427
-
cyclandelate
Cyclandelate
ME465091
-
-
10.514
-
Cyclohexylamine
Cyclohexylamine
ME465094
-
-
2.399
-
L-Cystine
Cystine
ME465216
-
-
0.975
-
Cytidine
Cytidine
ME465095
-
-
3.369
-
Cytosine
Cytosine
ME465096
-
-
3.94
-
dADP
dADP
ME465098
-
-
5.426
-
D-Ala-D-Ala
D-Alanyl-D-Alanine
ME465099
-
-
1.311
-
D-Carnitine
D-Carnitine
ME465102
-
-
0.978
-
Deoxyguanidinoproclavaminic acid
Deoxyamidinoproclavaminic acid
ME465105
-
-
1.038
-
Dethiobiotin
Dethiobiotin
ME465106
-
-
2.063
-
Dextromethorphan
Dextromethorphan
ME465107
-
-
8.705
-
Diaveridine
Diaveridine
ME465108
-
-
4.692
-
Dichloromethane
Dichloromethane
ME465112
-
-
0.767
-
dihomomethionine
Dihomomethionine
ME465116
-
-
1.595
-
Dihydroclavaminic acid
Dihydroclavaminic acid
ME465117
-
-
2.065
-
Dihydrothymine
Dihydrothymine
ME465118
-
-
2.356
-
DIHYDROURACIL
Dihydrouracil
ME465119
-
-
1.357
-
Diisobutylphthalate
Diisobutyl phthalate
ME465122
-
-
10.618
-
2_3-Dimethylmaleate
Dimethyl maleate
ME464896
-
-
0.946
-
Diphenhydramine
Diphenhydramine
ME465126
-
-
8.682
-
N2-(D-1-Carboxyethyl)-L-lysine
D-Lysopine
ME465285
-
-
3.926
-
Dopamine
Dopamine
ME465130
-
-
4.519
-
Dopamine3-O-sulfate
Dopamine 3-O-sulfate
ME465131
-
-
2.423
-
Doxylamine
Doxylamine
ME465132
-
-
4.951
-
Ecgonine
Ecgonine
ME465134
-
-
2.308
-
Ectoine
Ectoine
ME465136
-
-
1.085
-
Elaeokanine C
Elaeokanine C
ME465137
-
-
10.128
-
Caprolactam
Epsilon-caprolactam
ME465065
-
-
4.734
-
Escitalopram
Escitalopram
ME465140
-
-
8.744
-
Ethyl3-oxohexanoate
Ethyl 3-oxohexanoate
ME465144
-
-
5.09
-
Etodolac
Etodolac
ME465145
-
-
3.645
-
Fluconazole
Fluconazole
ME465148
-
-
7.339
-
Fluorene
Fluorene
ME465149
-
-
10.369
-
Fomepizole
Fomepizole
ME465151
-
-
0.988
-
Gabapentin
Gabapentin
ME465153
-
-
4.254
-
gamma-Glutamyl-gamma-aminobutyraldehyde
gamma-Glutamyl-gamma-aminobutyraldehyde
ME465155
-
-
1.152
-
gamma-Glu-gln
gamma-Glutamylglutamine
ME465154
-
-
1.07
-
L-gamma-Glutamyl-L-leucine
gamma-Glutamylleucine
ME465220
-
-
4.835
-
GLUCONOLACTONE
Gluconolactone
ME465157
-
-
1.017
-
Glu-Gly
Glu-Gly
ME465158
-
-
2.344
-
L-Glutamic acid
Glutamic acid
ME465221
-
-
0.971
-
L-Glutamine
Glutamine
ME465222
-
-
0.97
-
glutaraldehyde
Glutaral
ME465159
-
-
2.878
-
Glycochenodeoxycholic acid
Glycochenodeoxycholic acid
ME465162
-
-
10.604
-
Glycocholic acid
Glycocholic acid
ME465163
-
-
10.494
-
Gly-Lys
Gly-Lys
ME465164
-
-
2.257
-
Guanine
Guanine
ME465167
-
-
2.713
-
Guvacoline
Guvacoline
ME465168
-
-
2.341
-
Hexanoylglycine
Hexanoylglycine
ME465171
-
-
4.522
-
Hexylamine
Hexylamine
ME465173
-
-
1.612
-
Hippuric acid
Hippuric acid
ME465175
-
-
5.425
-
L-Histidine
Histidine
ME465223
-
-
1.28
-
Homoarginine
Homoarginine
ME465176
-
-
0.952
-
L-Homocitrulline
Homocitrulline
ME465224
-
-
1.064
-
L-Homocysteic acid
Homocysteic acid
ME465225
-
-
3.467
-
L-Homocystine
Homocystine
ME465226
-
-
3.693
-
Homogentisic acid
Homogentisic acid
ME465177
-
-
2.661
-
homomethionine
Homomethionine
ME465178
-
-
2.176
-
Hordenine
Hordenine
ME465179
-
-
3.826
-
hydralazine
Hydralazine
ME465180
-
-
2.949
-
HYDROQUINONE
Hydroquinone
ME465181
-
-
4.278
-
Hydroxy bupropion
Hydroxybupropion
ME465182
-
-
6.723
-
Hypoxanthine
Hypoxanthine
ME465185
-
-
2.952
-
(1-Ribosylimidazole)-4-acetate
Imidazoleacetic acid riboside
ME464839
-
-
1.183
-
Indole-3-lactic acid
Indole-3-lactic acid
ME465193
-
-
7.587
-
4-Indolecarbaldehyde
Indole-4-carboxaldehyde
ME464979
-
-
7.678
-
INDOLEACETALDEHYDE
Indoleacetaldehyde
ME465195
-
-
2.741
-
Indole-3-acetic acid
Indoleacetic acid
ME465192
-
-
8.094
-
2-Oxindole
Indolin-2-one
ME464919
-
-
6.643
-
Indoline
Indoline
ME465196
-
-
3.044
-
L-Indospicine
Indospicine
ME465230
-
-
2.485
-
Inosine
Inosine
ME465198
-
-
2.952
-
Iohexol
Iohexol
ME465200
-
-
3.607
-
L-Isoleucine
Isoleucine
ME465233
-
-
1.727
-
2-Isopropylmaleate
Isopropylmaleate
ME464911
-
-
6.953
-
Ketamine
Ketamine
ME465205
-
-
5.91
-
Lactamide
Lactamide
ME465206
-
-
2.079
-
Lamotrigine
Lamotrigine
ME465208
-
-
6.538
-
hypaphorine
Lenticin
ME465184
-
-
4.879
-
Leu-Val
Leu-Val
ME465217
-
-
1.442
-
Levetiracetam
Levetiracetam
ME465218
-
-
4.51
-
10-Hydroxycarbazepine
Licarbazepine
ME464863
-
-
9.874
-
Lidocaine
Lidocaine
ME465228
-
-
5.19
-
Linezolid
Linezolid
ME465231
-
-
8.18
-
Lotaustralin
Lotaustralin
ME465238
-
-
1.343
-
1-Palmitoylglycerophosphocholine
LPC 16:0/0:0
ME464882
-
-
11.831
-
1-heptadecanoyl-sn-glycero-3-phosphocholine
LPC 17:0/0:0
ME464871
-
-
12.15
-
1-Oleoylglycerophosphocholine
LPC 18:1/0:0
ME464879
-
-
11.892
-
1-Linoleoylglycerophosphocholine
LPC 18:2
ME464873
-
-
11.493
-
1-arachidonoyl-sn-glycero-3-phosphocholine
LPC 20:4/0:0
ME464870
-
-
11.38
-
1-(1Z-hexadecenyl)-sn-glycero-3-phosphocholine
LPC P-16:0 or LPC O-16:1
ME464856
-
-
12.057
-
1-Palmitoyl-2-hydroxy-sn-glycero-3-PE
LPE 16:0/0:0
ME464880
-
-
11.029
-
L-Lysine
Lysine
ME465234
-
-
0.8
-
Maltitol
Maltitol
ME465247
-
-
10.238
-
3-Hydroxy-2-methyl-4-pyrone
Maltol
ME464940
-
-
1.021
-
Mannitol
Mannitol
ME465248
-
-
0.989
-
Melatonin
Melatonin
ME465250
-
-
2.234
-
2-Mercaptoethanol
Mercaptoethanol
ME464913
-
-
1.308
-
meso-Tartaric acid
Meso-tartaric acid
ME465251
-
-
5.893
-
Metalaxyl
Metalaxyl
ME465252
-
-
5.057
-
Metformin
Metformin
ME465255
-
-
1.044
-
Methadone
Methadone
ME465256
-
-
9.879
-
metharbital
Metharbital
ME465257
-
-
3.408
-
L-Methionine
Methionine
ME465235
-
-
1.337
-
L-MethionineS-oxide
Methionine sulfoxide
ME465236
-
-
1.324
-
Methohexital
Methohexital
ME465258
-
-
5.743
-
Methylimidazoleacetic acid
Methylimidazoleacetic acid
ME465265
-
-
1.051
-
L-Tyrosine methyl ester
Methyl tyrosinate
ME465246
-
-
3.625
-
Metoprolol
Metoprolol
ME465266
-
-
6.562
-
Metronidazole
Metronidazole
ME465267
-
-
3.651
-
Metronidazole-OH
Metronidazole-OH
ME465268
-
-
2.965
-
met-thr
Met-Thr
ME465269
-
-
2.706
-
1-palmitoylglycerol;MAG(16:0)
MG 16:0/0:0/0:0
ME464881
-
-
11.078
-
Monoolein
MG 18:1
ME465271
-
-
11.161
-
OLEOYL-GLYCEROL
MG 18:1
ME465330
-
-
10.651
-
2-Arachidonoyl glycerol
MG 20:4
ME464901
-
-
11.141
-
Mirtazapine
Mirtazapine
ME465270
-
-
6.144
-
Morphine
Morphine
ME465272
-
-
2.813
-
Morphine-3-glucuronide
Morphine-3-glucuronide
ME465273
-
-
2.83
-
N1-Acetylspermidine
N1-Acetylspermidine
ME465283
-
-
0.937
-
N1-Methyl-2-pyridone-5-carboxamide
N1-Methyl-2-pyridone-5-carboxamide
ME465284
-
-
2.846
-
N2-Acetyl-L-lysine
N(2)-Acetyllysine
ME465287
-
-
1.317
-
N2-Dimethylguanosine
N2,N2-Dimethylguanosine
ME465288
-
-
4.339
-
N4-Acetylcytidine
N4-Acetylcytidine
ME465290
-
-
3.938
-
N6-Acetyl-L-lysine
N6-Acetyllysine
ME465294
-
-
1.076
-
N5-(L-1-Carboxyethyl)-L-ornithine
N(6)-Acetyl-N(6)-hydroxy-lysine
ME465292
-
-
2.267
-
N6-Acetyl-N6-hydroxy-L-lysine
N(6)-Acetyl-N(6)-hydroxy-lysine
ME465295
-
-
9.941
-
N6,N6,N6-Trimethyl-L-lysine
N-6-Trimethyllysine
ME465293
-
-
0.939
-
N2-Acetyl-L-aminoadipate
N-Acetyl-2-aminoadipic acid
ME465286
-
-
3.626
-
N-ACETYLASPARAGINE
N-Acetylasparagine
ME465297
-
-
1.014
-
N-Acetyl-L-citrulline
N-Acetylcitrulline
ME465298
-
-
2.107
-
N-Acetyl-L-glutamate5-semialdehyde
N-Acetyl-glutamate 5-semialdehyde
ME465300
-
-
5.485
-
N-Acetyl-L-histidine
N-Acetylhistidine
ME465302
-
-
1.106
-
N-Acetylleucylleucine
N-Acetyl-leucyl-leucine
ME465299
-
-
1.158
-
N-Acetyl-L-glutamicacid
N-Acetyl-mannosamine
ME465301
-
-
6.046
-
N-Acetylornithine
N-Acetylornithine
ME465303
-
-
1.107
-
N-Acetylserotonin
N-Acetylserotonin
ME465304
-
-
5.873
-
N4-Acetylsulfamethoxazole
N-Acetylsulfamethoxazole
ME465291
-
-
7.848
-
N-Benzylformamide
N-benzylformamide
ME465306
-
-
2.862
-
N(alpha)-Benzyloxycarbonyl-L-leucine
N-Benzyloxycarbonyl-L-leucine
ME465278
-
-
4.964
-
N-Butyryl-L-homoserinelactone
N-Butyryl-L-homoserine lactone
ME465307
-
-
1.427
-
N-D-Glucosylarylamine
N-D-Glucosylarylamine
ME465310
-
-
2.955
-
L-Formylkynurenine
N-Formyl-L-kynurenine
ME465219
-
-
3.379
-
Nicotinuric acid
Nicotinuric acid
ME465313
-
-
4.808
-
3-NITRO-L-TYROSINE
Nitrotyrosine
ME464951
-
-
2.744
-
N-Methyl-2-pyrrolidone
N-Methylpyrrolidin-2-one
ME465317
-
-
3.468
-
Laudanosine
N-Methyltetrahydropapaverine
ME465211
-
-
7.036
-
Dicyclohexylamine
N,N-Dicyclohexylamine
ME465113
-
-
6.675
-
n-Ribosylhistidine
N-Ribosylhistidine
ME465324
-
-
2.252
-
N-Undecanoylglycine
N-Undecanoylglycine
ME465325
-
-
10.261
-
Oleamide
Oleamide
ME465329
-
-
11.086
-
Ondansetron
Ondansetron
ME465333
-
-
7.2
-
OPHTHALMATE
Ophthalmic acid
ME465334
-
-
2.719
-
glutathione disulfide
Oxidized glutathione
ME465161
-
-
2.44
-
2-Oxovaleric acid
Oxovaleric acid
ME464920
-
-
1.08
-
Palmitoleic Acid
Palmitoleic acid
ME465341
-
-
10.552
-
Pantothenicacid(VitaminB5)
Pantothenic acid
ME465343
-
-
3.811
-
N-alpha-Acetylarginine
Pelargonidin
ME465305
-
-
1.339
-
PEG n5
Pentaethylene glycol
ME465346
-
-
4.692
-
Phenol
Phenol
ME465352
-
-
2.143
-
Phenylacetaldehyde
Phenylacetaldehyde
ME465353
-
-
2.133
-
L-Phenylalanine
Phenylalanine
ME465239
-
-
1.483
-
Phenylglyoxylic acid
Phenylglyoxylic acid
ME465354
-
-
4.964
-
Phenylpyruvate
Phenylpyruvic acid
ME465356
-
-
2.143
-
ETHANOLAMINE PHOSPHATE
Phosphoethanolamine
ME465141
-
-
1.311
-
Orthophosphate
Phosphoric acid
ME465336
-
-
1.302
-
Phylloquinone
Phylloquinone
ME465358
-
-
10.906
-
Pipecolinic acid
Pipecolic acid
ME465360
-
-
1.295
-
Piperideine
Piperideine
ME465361
-
-
1.295
-
Piperidine
Piperidine
ME465362
-
-
3.81
-
Piperine
Piperine
ME465363
-
-
10.437
-
Porphobilinogen
Porphobilinogen
ME465365
-
-
3.654
-
Porphyrin
Porphyrin
ME465366
-
-
3.867
-
Precocene II
Precocene II
ME465367
-
-
10.485
-
Prolylleucine
Pro-Leu
ME465368
-
-
1.686
-
L-Proline
Proline
ME465240
-
-
1.443
-
Pulcherriminic acid
Pulcherriminic acid
ME465372
-
-
7.525
-
Pyridoxamine
Pyridoxamine
ME465373
-
-
3.513
-
L-Pyroglutamic acid
Pyroglutamic acid
ME465241
-
-
0.968
-
Pyroglutamic Acid
Pyroglutamic acid
ME465374
-
-
5.666
-
Pyrrolidine
Pyrrolidine
ME465375
-
-
1.168
-
Quinic acid
Quinic acid
ME465377
-
-
2.54
-
8-Hydroxyquinoline
Quinolin-8-ol
ME465011
-
-
2.864
-
Quinoline
Quinoline
ME465379
-
-
4.384
-
Retinol
Retinol
ME465380
-
-
9.678
-
L-Rhamnose
Rhamnose
ME465242
-
-
8.439
-
Nicotianamine
(R,S,S)-Nicotianamine
ME465312
-
-
4.213
-
S-ADENOSYLHOMOCYSTEINE
S-Adenosylhomocysteine
ME465383
-
-
2.516
-
2-Hydroxyhippuric acid
Salicyluric acid
ME464907
-
-
4.149
-
allylcysteine
S-Allylcysteine
ME465029
-
-
2.459
-
Salsolinol
Salsolinol
ME465384
-
-
4.514
-
SEROTONIN
Serotonin
ME465385
-
-
2.173
-
Shikimate
Shikimic acid
ME465386
-
-
0.954
-
Sinapylalcohol
Sinapyl alcohol
ME465387
-
-
9.165
-
sn-glycero-3-Phosphocholine
sn-Glycero-3-phosphocholine
ME465389
-
-
1.002
-
Spermine
Spermine
ME465390
-
-
0.943
-
Sphingosine
Sphingosine
ME465392
-
-
10.341
-
DL-Stachydrine
Stachydrine
ME465128
-
-
1.155
-
Octadecanoic acid
Stearic acid
ME465328
-
-
11.528
-
Succinic anhydride
Succinic anhydride
ME465394
-
-
1.9
-
Sulfamethoxazole
Sulfamethoxazole
ME465396
-
-
6.41
-
Talampicillin
Talampicillin
ME465400
-
-
3.258
-
Taurohyocholate
Taurohyocholic acid
ME465401
-
-
11.36
-
Tazobactam
Tazobactam
ME465402
-
-
5.793
-
Tetraacetylethylenediamine
Tetraacetylethylenediamine
ME465403
-
-
1.168
-
Tetralin
Tetralin
ME465404
-
-
5.284
-
Theobromine
Theobromine
ME465405
-
-
4.331
-
Theophylline
Theophylline
ME465406
-
-
4.963
-
L-Threonine
Threonine
ME465243
-
-
1.104
-
tranexamic acid
Tranexamic acid
ME465409
-
-
4.778
-
(-)-trans-Carveol
trans-Carveol
ME464838
-
-
5.872
-
Trans-Cinnamicacid
trans-Cinnamic acid
ME465412
-
-
3.062
-
Ferulate
trans-Ferulic acid
ME465147
-
-
2.931
-
Brassylic acid
Tridecanedioic acid
ME465057
-
-
10.459
-
trimethadione
Trimethadione
ME465416
-
-
2.762
-
Trimethoprim
Trimethoprim
ME465417
-
-
5.247
-
TrimethylamineN-oxide
Trimethylamine N-oxide
ME465418
-
-
0.977
-
Trp-Phe
Trp-Phe
ME465422
-
-
7.272
-
L-Tryptophan
Tryptophan
ME465244
-
-
4.384
-
L-Tyrosine
Tyrosine
ME465245
-
-
2.125
-
2-(4-Hydroxyphenyl)ethanol(Tyrosol)
Tyrosol
ME464888
-
-
6.257
-
D-2-Amino-hexano-6-lactam
Undecylprodigiosin
ME465097
-
-
1.124
-
Uracil
Uracil
ME465424
-
-
2.245
-
3-Ureidoisobutyrate
Ureidoisobutyric acid
ME464955
-
-
5.558
-
Uric acid
Uric acid
ME465426
-
-
1.79
-
Uridine
Uridine
ME465427
-
-
2.243
-
Valclavam
Valclavam
ME465428
-
-
5.074
-
Valine
Valine
ME465429
-
-
1.169
-
Valylvaline
Val-Val
ME465430
-
-
1.362
-
Venlafaxine
Venlafaxine
ME465431
-
-
8.037
-
Xanthine
Xanthine
ME465434
-
-
2.201
-
Noradrenaline
Xi-Norepinephrine
ME465320
-
-
3.398
-
Zalcitabine
Zalcitabine
ME465436
-
-
1.266
-
Zearalenone
Zearalenone
ME465437
-
-
10.331
-
11-Nitro-1-undecene
-
ME464865
-
-
9.853
-
12-Hydroxydihydrochelirubine
-
ME464867
-
-
5.961
-
1,3,5-Heptatriene
-
ME464858
-
-
4.243
-
15-Crown-5
-
ME464868
-
-
5.594
-
1,5-DAN
-
ME464860
-
-
4.385
-
1-[(9Z)-hexadecenoyl]-sn-glycero-3-phosphocholine
-
ME464862
-
-
11.377
-
1-(beta-D-Ribofuranosyl)-1_4-dihydronicotinamide
-
ME464857
-
-
2.933
-
1-Hexadecanoylpyrrolidine
-
ME464872
-
-
11.49
-
(1S,2R)-3-(4-Chlorophenyl)-3,5-cyclohexadiene-1,2-...
-
ME464840
-
-
4.22
-
1-Stearoylglycerol
-
ME464885
-
-
11.539
-
1-stearoyl-sn-glycero-3-phosphoethanolamine
-
ME464886
-
-
11.538
-
1-Tetradecylamine
-
ME464887
-
-
10.212
-
(1Z,5Z)-1,5-Cyclooctadiene
-
ME464841
-
-
9.18
-
2,2-Dichloro-1,1-ethanediol
-
ME464890
-
-
14.446
-
2,2'-Iminodipropan-1-ol
-
ME464891
-
-
1.095
-
2_2'-Iminodipropanoate
-
ME464894
-
-
1.495
-
2_3_4_5-Tetrahydropyridine-2-carboxylate
-
ME464895
-
-
5.484
-
2,3,4,9-Tetrahydro-1H-β-carboline-3-carboxylic ac...
-
ME464892
-
-
5.14
-
2,3-DIMETHYL-5-NITROINDOLE
-
ME464893
-
-
3.996
-
2_4-Dinitrophenylhydrazine
-
ME464897
-
-
3.311
-
(24R_24'R)-Fucosterolepoxide
-
ME464842
-
-
12.92
-
2_6-Dihydroxypseudooxynicotine
-
ME464898
-
-
3.494
-
2-Aminoacetophenone;O-Acetylaniline
-
ME464900
-
-
5.563
-
2-Butoxy-2-oxoethyl butyl phthalate
-
ME464902
-
-
10.347
-
2-Chloro-4,4'-biphenyldiol
-
ME464903
-
-
4.907
-
2-cyanobenzaldehyde
-
ME464904
-
-
4.768
-
2-Ethyl-4,5-dimethylthiazole
-
ME464905
-
-
5.752
-
2-Furoylglycine;Pyromucuricacid
-
ME464906
-
-
3.594
-
2-linoleoyl-sn-glycero-3-phosphoethanolamine
-
ME464912
-
-
10.882
-
2-Methylnicotinamide
-
ME464915
-
-
0.987
-
2-Methylpropanamine
-
ME464916
-
-
1.085
-
2-PCB
-
ME464921
-
-
0.955
-
2-Phenyl-4-pentenal
-
ME464922
-
-
8.587
-
(2S)-2-Amino-8-hydroxyoctanoic acid
-
ME464844
-
-
1.129
-
2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-ol
-
ME464889
-
-
7.756
-
2-trans-Hexadecenal
-
ME464924
-
-
11.075
-
(2Z)-4-(Octadecyloxy)-4-oxo-2-butenoic acid
-
ME464845
-
-
11.537
-
3-(3,4,5-trimethoxyphenyl)propanoic acid
-
ME464925
-
-
10.299
-
3_4-Dihydroxymandelate
-
ME464932
-
-
0.946
-
3_4-Dihydroxyphenylethyleneglycol
-
ME464933
-
-
2.963
-
3-(4-Hydroxy-1,3-benzothiazol-6-yl)alanine
-
ME464926
-
-
8.653
-
3,5-ditert-butyl-4-hydroxybenzaldehyde
-
ME464929
-
-
10.533
-
3,5-ditert-butyl-4-hydroxybenzonitrile
-
ME464930
-
-
6.136
-
3,6-Diacetyl-9-isoamylcarbazole
-
ME464931
-
-
9.29
-
3-Amino-2-methylpropanoate
-
ME464934
-
-
0.978
-
3-Chloro-4-nitro-1,2-oxazole
-
ME464936
-
-
0.767
-
3-CYSTEINYLACETAMINOPHEN
-
ME464937
-
-
3.691
-
3-Hydroxy-3-[(3-methylbutanoyl)oxy]-4-(trimethylam...
-
ME464941
-
-
2.618
-
3-Hydroxycotinine
-
ME464944
-
-
1.327
-
3-Hydroxy-N-(2-oxotetrahydro-3-furanyl)dodecanamid...
-
ME464946
-
-
8.804
-
3'-HYDROXYPENTOBARBITAL, (1'R,3'S)-(+/-)-
-
ME464947
-
-
5.633
-
3-Methylsulfolene
-
ME464950
-
-
1.336
-
3-Oxo-N-(2-oxotetrahydro-3-furanyl)decanamide
-
ME464953
-
-
3.152
-
4,4'-dimethoxy[1,1'-biphenyl]-2-carbonitrile
-
ME464956
-
-
3.574
-
4,4'-Thiobis(butan-2-one)
-
ME464957
-
-
5.034
-
4,6-Dimethyl-2(1H)-pyrimidinone
-
ME464958
-
-
3.476
-
4-Acetamidoantipyrine
-
ME464959
-
-
5.558
-
4-Amino-3-hydroxybenzoic acid
-
ME464961
-
-
2.799
-
4-Coumarylalcohol(4-Hydroxycoumarin)
-
ME464966
-
-
10.625
-
(4E)-1,7-Bis(4-hydroxyphenyl)-4-hepten-3-one
-
ME464846
-
-
5.448
-
4-Ethynylaniline
-
ME464967
-
-
4.386
-
4-Formylaminoantipyrine
-
ME464968
-
-
5.425
-
4-HQN
-
ME464970
-
-
5.974
-
4-Hydroxycinnamoylmethane
-
ME464973
-
-
7.107
-
4-Hydroxyprolylleucine
-
ME464976
-
-
2.974
-
4-Imino-1-(beta-D-ribofuranosyl)-1,4-dihydro-3-pyr...
-
ME464978
-
-
2.708
-
4-Methyl-2-phenyl-1,3-thiazole
-
ME464980
-
-
2.258
-
4-Methylaminoantipyrine
-
ME464981
-
-
3.91
-
4-Sulfanyldihydro-3(2H)-furanone
-
ME464987
-
-
2.187
-
5_10-Methenyltetrahydrofolate
-
ME464989
-
-
6.827
-
(5alpha,6beta)-3-Hydroxy-17-methyl-4,5-epoxymorphi...
-
ME464849
-
-
2.98
-
5-Amino-4-imidazolecarboxylate
-
ME464991
-
-
3.651
-
5-Fluoro-3,5-AB-PFUPPYCA
-
ME464994
-
-
6.483
-
5-(N,N-Dimethylcarbamimidamido)-2-oxopentanoic aci...
-
ME464988
-
-
2.208
-
6-Methylindole
-
ME465001
-
-
4.386
-
7,8-dihydro-8-oxoguanine
-
ME465002
-
-
5.464
-
7_8-Dihydroneopterin
-
ME465003
-
-
2.456
-
7-methyl-3-nitroimidazo[1,2-a]pyridine
-
ME465004
-
-
0.924
-
7-Oxobenz[de]anthracene
-
ME465006
-
-
3.903
-
8'-Hydroxyabscisate
-
ME465009
-
-
10.545
-
8-Hydroxyhexadecanedioic acid
-
ME465010
-
-
11.19
-
8-Oxocoformycin
-
ME465012
-
-
3.644
-
Acetochlor ESA
-
ME465017
-
-
5.654
-
Acetyl-β-methylcholine
-
ME465021
-
-
1.444
-
Adaprolol
-
ME465023
-
-
10.489
-
alanyl-poly(glycerolphosphate)
-
ME465025
-
-
8.452
-
allyl bromide
-
ME465028
-
-
0.939
-
Amides, C12-18, N-(hydroxyethyl)
-
ME465032
-
-
10.242
-
Anhydroecgonine
-
ME465033
-
-
1.563
-
apronalide
-
ME465038
-
-
4.301
-
Atagabalin
-
ME465043
-
-
2.46
-
Atenolol acid
-
ME465044
-
-
5.076
-
Baclofen
-
ME465045
-
-
4.692
-
Benzyl methacrylate
-
ME465049
-
-
3.685
-
BIM-1
-
ME465053
-
-
10.448
-
Bis(2-ethylhexyl) amine
-
ME465056
-
-
10.31
-
Buflomedil
-
ME465058
-
-
8.724
-
Buphedrine
-
ME465059
-
-
3.206
-
Butoxytriglycol
-
ME465061
-
-
7.729
-
Cafestol
-
ME465063
-
-
10.665
-
Carbamazepine 10,11-epoxide
-
ME465068
-
-
8.95
-
(Carbamoylamino)(4-hydroxyphenyl)acetic acid
-
ME464850
-
-
3.636
-
Carnidazole
-
ME465070
-
-
2.598
-
CephalosporinC
-
ME465072
-
-
2.892
-
chavicol
-
ME465075
-
-
10.421
-
cis-dihomoaconitic acid
-
ME465080
-
-
0.954
-
cis-Tramadol
-
ME465081
-
-
6.432
-
clomazone
-
ME465083
-
-
3.607
-
Clopidol
-
ME465084
-
-
5.256
-
Coumarone
-
ME465088
-
-
2.144
-
Cycloheptene
-
ME465092
-
-
7.557
-
Cyclohexanethiol
-
ME465093
-
-
1.019
-
Dambonitol
-
ME465100
-
-
3.899
-
Deacetylcefotaxime
-
ME465103
-
-
4.816
-
Dibenzoylmethane
-
ME465109
-
-
10.428
-
Dibenzylamine
-
ME465110
-
-
6.446
-
DICHLORODIFLUOROMETHANE
-
ME465111
-
-
2.012
-
Didecyldimethylammonium
-
ME465114
-
-
10.338
-
Diethyl dibutylmalonate
-
ME465115
-
-
10.53
-
Dihydroxycarbamazepine
-
ME465121
-
-
8.437
-
Diisopropylphosphate
-
ME465123
-
-
5.96
-
Dinitrosopentamethylenetetramine
-
ME465124
-
-
4.198
-
Dioxohongdenafil
-
ME465125
-
-
7.424
-
DL-Atenolol
-
ME465127
-
-
3.824
-
DL-α-Aminocaprylic acid
-
ME465129
-
-
5.896
-
Dubinidine
-
ME465133
-
-
6.542
-
(E)-3,4,5-Trimethoxycinnamic acid
-
ME464851
-
-
8.605
-
Ecgonine methyl ester
-
ME465135
-
-
1.833
-
Eperisone
-
ME465138
-
-
9.745
-
Ethyl ?-bromopropionate
-
ME465142
-
-
0.931
-
Ethyl palmitoleate
-
ME465143
-
-
10.738
-
fenamidone
-
ME465146
-
-
7.455
-
Flurandrenolide
-
ME465150
-
-
6.928
-
gamma-Glutamyl-gamma-aminobutyraye
-
ME465156
-
-
2.291
-
Gly-Pro(Glycylproline)
-
ME465165
-
-
4.03
-
guaietolin
-
ME465166
-
-
8.309
-
Haplopine
-
ME465169
-
-
4.014
-
hexobarbital
-
ME465172
-
-
4.182
-
Hexylresorcinol
-
ME465174
-
-
7.88
-
Imafen
-
ME465186
-
-
2.359
-
Imagabalin
-
ME465187
-
-
2.025
-
Imidazol-5-yl-pyruvate
-
ME465188
-
-
1.989
-
Indane
-
ME465189
-
-
10.427
-
Indole-3-acetaldoxime
-
ME465190
-
-
2.431
-
Indole-5_6-quinone
-
ME465194
-
-
5.763
-
Indolylmethylthiohydroximate
-
ME465197
-
-
3.695
-
intercept
-
ME465199
-
-
10.778
-
Isoamyl cyanide
-
ME465201
-
-
5.754
-
Isococculidine
-
ME465202
-
-
6.113
-
Isoniazid pyruvate
-
ME465203
-
-
5.219
-
Kanosamine
-
ME465204
-
-
4.337
-
L-alpha-lysophosphatidylcholine
-
ME465207
-
-
11.308
-
L-Ascorbate 6-phosphate
-
ME465210
-
-
0.964
-
Lauramide
-
ME465212
-
-
10.657
-
L-Carnitinamide
-
ME465214
-
-
0.947
-
L-Hypoglycin
-
ME465227
-
-
1.5
-
Limonene-1_2-diol
-
ME465229
-
-
10.406
-
Maraniol
-
ME465249
-
-
10.623
-
(-)-Medicarpin
-
ME464837
-
-
3.198
-
Metamiton
-
ME465253
-
-
2.495
-
Metazachlor OXA
-
ME465254
-
-
3.821
-
methyl 3,4,5-trihydroxycyclohex-1-ene-1-carboxylat...
-
ME465259
-
-
4.69
-
Methyl 6-isopropyl-2-oxooctahydro-2H-cyclohepta[b]...
-
ME465260
-
-
10.234
-
Methyl alpha-aspartylphenylalaninate
-
ME465261
-
-
5.436
-
Methyl isonicotinate
-
ME465262
-
-
1.082
-
Methyl N-acetylglycylglycylglycinate
-
ME465264
-
-
1.068
-
Methyl N-(tert-butoxycarbonyl)-L-leucinate
-
ME465263
-
-
4.504
-
Moxisylyte
-
ME465274
-
-
3.654
-
Myristamide
-
ME465275
-
-
10.877
-
N-(2-Hydroxyethyl)heptadecanamide
-
ME465276
-
-
10.33
-
N-[(2S)-2-Hydroxypropanoyl]methionine
-
ME465282
-
-
2.512
-
N3,N4-Dimethyl-L-arginine
-
ME465289
-
-
1.071
-
N-(6-Aminohexanoyl)-6-aminohexanoate
-
ME465277
-
-
5.672
-
N-ACETYL ZONISAMIDE
-
ME465296
-
-
7.476
-
NDA
-
ME465308
-
-
8.108
-
N-Desmethylvenlafaxine
-
ME465309
-
-
8.09
-
n-Hexanamide
-
ME465311
-
-
1.16
-
N-(indol-3-ylacetyl)glutamine
-
ME465279
-
-
6.416
-
Nisoxetine
-
ME465314
-
-
9.209
-
Nithiazide
-
ME465315
-
-
5.487
-
Nitrosoheptamethyleneimine
-
ME465316
-
-
1.311
-
N-Methylanhalonine
-
ME465318
-
-
4.389
-
N,N-Diisopropylethylamine (DIPEA)
-
ME465280
-
-
4.356
-
N,N'-Diphenylguanidine
-
ME465281
-
-
5.665
-
N-Nitrosoguvacoline
-
ME465319
-
-
1.139
-
Norketamine
-
ME465321
-
-
5.839
-
N-palmitoylserinol
-
ME465322
-
-
10.249
-
N-Propyldodecanamide
-
ME465323
-
-
10.912
-
O-3-methylglutarylcarnitine
-
ME465327
-
-
3.289
-
O-(4,8-dimethylnonanoyl)carnitine
-
ME465326
-
-
10.205
-
Olomoucine
-
ME465331
-
-
10.507
-
Omeprazole sulphone
-
ME465332
-
-
9.539
-
ornithinoalanine
-
ME465335
-
-
2.224
-
Oxepanone
-
ME465337
-
-
4.295
-
Oxido(dioxo)vanadium
-
ME465338
-
-
14.592
-
Oxohongdenafil
-
ME465339
-
-
7.312
-
Oxycodone
-
ME465340
-
-
4.471
-
p-dimethylinamyl benzoate
-
ME465345
-
-
5.242
-
PEG-4
-
ME465350
-
-
3.858
-
PEG n6
-
ME465347
-
-
5.376
-
PEG n7
-
ME465348
-
-
5.962
-
PEG n8
-
ME465349
-
-
6.473
-
Phenazone
-
ME465351
-
-
6.664
-
Phenylisocyanate
-
ME465355
-
-
3.666
-
Phthalic anhydride
-
ME465357
-
-
10.618
-
Pimilprost
-
ME465359
-
-
10.796
-
Pitavastatin
-
ME465364
-
-
7.102
-
Promethazine sulfoxide
-
ME465369
-
-
6.957
-
pronetalol
-
ME465370
-
-
2.667
-
Pyrrolidine, 1-oleoyl-
-
ME465376
-
-
10.809
-
quinidinone
-
ME465378
-
-
10.96
-
(R)-Coclaurine
-
ME464853
-
-
3.36
-
Ropivacaine
-
ME465381
-
-
6.85
-
(S)-4-Amino-5-oxopentanoate
-
ME464854
-
-
1.698
-
S-(5-histidyl)cysteine sulfoxide
-
ME465382
-
-
4.746
-
S-Methyl-1-thio-D-glycerate
-
ME465388
-
-
1.459
-
S-Phenyl-D-cysteine
-
ME465391
-
-
5.039
-
Spiroxamine
-
ME465393
-
-
10.292
-
Sulfafurazole
-
ME465395
-
-
4.595
-
Sulfonylbismethane
-
ME465397
-
-
1.239
-
Sulforaphane
-
ME465398
-
-
7.069
-
Talampanel
-
ME465399
-
-
6.13
-
Tolperisone
-
ME465408
-
-
8.546
-
trans-3-Indoleacrylic acid
-
ME465411
-
-
4.385
-
Triethylene glycol
-
ME465413
-
-
2.839
-
Triisopropanolamine
-
ME465414
-
-
1.307
-
Trilostane
-
ME465415
-
-
9.929
-
Trimethylsilyl N,O-bis(trimethylsilyl)serinate
-
ME465419
-
-
10.935
-
Triphenylphosphine oxide
-
ME465420
-
-
10.287
-
tyramine sulfate
-
ME465423
-
-
2.425
-
Uramil
-
ME465425
-
-
2.963
-
Vestitol
-
ME465433
-
-
1.189
-
Xanthohumol
-
ME465435
-
-
6.657
-
(Z)-Thiamethoxam
-
ME464855
-
-
3.795
-
α-Aspartylphenylalanine
-
ME465438
-
-
4.859
-
γ-Linolenic acid ethyl ester
-
ME465439
-
-
11.09
-
Analysis: Reversed phase NEGATIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
2-Hydroxyethanesulfonate
2-Hydroxyethanesulfonate
ME465444
-
-
1.762
-
2-Hydroxyfluorene
2-Hydroxyfluorene
ME465445
-
-
0.941
-
3-Hydroxybutyricacid
3-Hydroxybutyric acid
ME465449
-
-
2.233
-
5'-Methylthioadenosine
5'-Methylthioadenosine
ME465454
-
-
1.068
-
AICAR
AICAR
ME465458
-
-
0.946
-
Alanyltyrosine
Ala-Tyr
ME465459
-
-
4.696
-
Anhydrotetracycline
Anhydrotetracycline
ME465460
-
-
0.986
-
Dithranol
Anthralin
ME465483
-
-
0.941
-
D-Arabinonate
Arabinonic acid
ME465474
-
-
3.355
-
Benzylamine
Benzylamine
ME465462
-
-
9.9
-
benzylbenzoate
Benzyl Benzoate
ME465463
-
-
0.984
-
Bergaptol
Bergaptol
ME465464
-
-
1.23
-
Beta-Alanine
beta-Alanine
ME465465
-
-
0.968
-
BiochaninA
Biochanin A
ME465466
-
-
1.055
-
Bisphenol A
Bisphenol A
ME465467
-
-
0.975
-
Chorismate
Chorismic acid
ME465468
-
-
1.178
-
Clavulanate-9-aldehyde
Clavulanate-9-aldehyde
ME465469
-
-
1.516
-
Creatinine
Creatinine
ME465470
-
-
0.932
-
CYS-GLY
Cys-Gly
ME465471
-
-
0.961
-
CYSTATHIONINE
Cystathionine
ME465472
-
-
2.189
-
CYTIDINE
Cytidine
ME465473
-
-
0.974
-
D-Serine
D-Serine
ME465485
-
-
0.937
-
DEOXYURIDINE-MONOPHOSPHATE
dUMP
ME465475
-
-
1.347
-
Dihydroxyfumarate
(E)-2,3-Dihydroxybut-2-enedioic acid
ME465481
-
-
14.45
-
D-Erythrose
Erythrose
ME465476
-
-
0.941
-
Formononetin
Formononetin
ME465486
-
-
1.227
-
D-Fructose
Fructose
ME465477
-
-
4.974
-
Fumaric acid
Fumaric acid
ME465487
-
-
5.275
-
D-Galactonate
Galactonic acid
ME465478
-
-
4.731
-
Gamma-Aminobutyricacid(GABA)
gamma-Aminobutyric acid
ME465488
-
-
0.968
-
Gluconic acid
Gluconic acid
ME465489
-
-
4.053
-
Glutaric acid
Glutaric acid
ME465490
-
-
0.94
-
GLYCERALDEHYDE
Glyceraldehyde
ME465491
-
-
1.316
-
Guanidineacetic acid
Guanidoacetic acid
ME465493
-
-
4.228
-
Isoliquiritigenin
Isoliquiritigenin
ME465494
-
-
1.022
-
L-2-Amino-3-oxobutanoic acid
L-2-Amino-3-oxobutanoic acid
ME465495
-
-
1.34
-
Lamivudine
Lamivudine
ME465496
-
-
1.344
-
L-Malic acid
Malic acid
ME465497
-
-
14.451
-
METHIONINE SULFOXIMINE
Methionine sulfoximine
ME465499
-
-
0.928
-
Methotrexate
Methotrexate
ME465500
-
-
10.215
-
Morphinone
Morphinone
ME465501
-
-
0.971
-
N-ACETYLASPARAGINE
N-Acetylasparagine
ME465502
-
-
0.984
-
N-Ribosylnicotinamide
Nicotinamide riboside
ME465506
-
-
0.994
-
Nicotinate D-ribonucleotide
Nicotinic acid mononucleotide
ME465505
-
-
1.697
-
O-Phospho-L-homoserine
O-Phosphohomoserine
ME465508
-
-
7.765
-
Oseltamivir
Oseltamivir
ME465510
-
-
10.629
-
Orthophosphate
Phosphoric acid
ME465509
-
-
1.58
-
Porphyrin
Porphyrin
ME465515
-
-
6.49
-
5-Oxoproline
Pyroglutamic acid
ME465455
-
-
1.869
-
Pyruvic acid
Pyruvic acid
ME465516
-
-
0.943
-
D-Ribose
Ribose
ME465484
-
-
3.525
-
Ser-Ser
Ser-Ser
ME465518
-
-
0.948
-
GLYCEROL 3-PHOSPHATE
sn-Glycero-3-phosphate
ME465492
-
-
1.707
-
Succinic acid
Succinic acid
ME465519
-
-
1.827
-
Thiamin
Thiamine
ME465521
-
-
0.993
-
Thiolactomycin
Thiolactomycin
ME465522
-
-
0.982
-
L-Threonic acid
Threonic acid
ME465498
-
-
1.719
-
Uridine
Uridine
ME465524
-
-
1.804
-
1,3-Dithiane
-
ME465441
-
-
14.446
-
1_4-Diguanidinobutane
-
ME465442
-
-
10.108
-
2-Amino-6-hydroxyaminopurine
-
ME465443
-
-
7.169
-
2-Methacryloyloxyethyl phenyl phosphate
-
ME465446
-
-
2.427
-
2-Methyl-3-thioacetoxy-4,5-dihydrofuran
-
ME465447
-
-
0.967
-
3,7,3',4'-Tetramethylquercetin
-
ME465448
-
-
1.015
-
3-Methylindolepyruvate
-
ME465450
-
-
1.215
-
3-Vinyl-1,2-dithiacyclohex-5-ene
-
ME465451
-
-
9.666
-
4-styrenesulfonic acid
-
ME465452
-
-
1.699
-
5_10-Methylenetetrahydrofolate
-
ME465453
-
-
4.309
-
8-Azaguanine
-
ME465456
-
-
6.056
-
8-Ethyl-11-methyl-2-(4-methyl-5-oxotetrahydro-2-fu...
-
ME465457
-
-
10.263
-
Balsalazide
-
ME465461
-
-
4.542
-
Dibekacin
-
ME465479
-
-
10.79
-
Dihydropteroate
-
ME465480
-
-
0.941
-
Dinitrosopentamethylenetetramine
-
ME465482
-
-
7.755
-
N-Acetyl-L-glutamate5-phosphate
-
ME465503
-
-
6.067
-
N-acetylmuramate6-phosphate
-
ME465504
-
-
5.578
-
OB4972000
-
ME465507
-
-
1.688
-
oxiramide
-
ME465511
-
-
10.419
-
Pederin
-
ME465512
-
-
10.248
-
p-Fluoropropiophenone
-
ME465513
-
-
0.936
-
Phenylsilane
-
ME465514
-
-
0.931
-
(S)-4-Amino-5-oxopentanoate
-
ME465440
-
-
1.612
-
SAT
-
ME465517
-
-
11.661
-
tebuthiuron
-
ME465520
-
-
4.445
-
Tilnoprofen arbamel
-
ME465523
-
-
10.381
-
Xanthohumol
-
ME465525
-
-
6.991
-
Xanthone
-
ME465526
-
-
0.999
-
UCSD Metabolomics Workbench, a resource sponsored by the Common Fund of the National Institutes of Health
Terms of use
Site map
Contact
NMDR Personnel