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