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